SCHEMBL16540096

SCHEMBL16540096

Cc1cc(OCCCBr)cc(C)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.56
▸ TSHR P16473 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HPGD P15428 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ OGG1 O15527 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ GPR84 Q9NQS5 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15622194 0.90 MCL1 (0.58) MCL1TSHRPOLBCYP1A2CYP2D6
SCHEMBL15625765 0.82 MCL1 (0.58) MCL1TSHRPOLBCYP1A2CYP2D6
SCHEMBL16523502 0.82 ALDH1A1 (0.45) MCL1TSHRPOLBCYP1A2CYP2D6
SCHEMBL12968131 0.80 TP53 (0.57) MCL1TSHRPOLBCYP1A2CYP2D6
SCHEMBL10832928 0.79 GAA (0.56) MCL1POLBTP53ALDH1A1GAA
SCHEMBL20415882 0.79 MCL1 (0.59) MCL1TSHRPOLBCYP1A2CYP2D6
SCHEMBL17911632 0.78 KCNA3 (0.38) SMN1; SMN2MAPT
SCHEMBL15622892 0.78 MCL1 (0.58) MCL1TSHRPOLBCYP1A2CYP2D6
SCHEMBL77567 0.78 TSHR (0.69) MCL1TSHRPOLBCYP1A2CYP2D6
SCHEMBL28109164 0.78 MCL1 (0.58) MCL1TSHRPOLBCYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637447-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2026-05-26 — — US disclosed
US-20240140940-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2024-05-02 — — US disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 — — US disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 — — US disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 — — US disclosed
CN-113816889-B 4-sulfimide-1H-pyrrole Mcl-1 inhibitor and anti-tumor medical application thereof 中国药科大学 2023-08-22 — — CN disclosed
CN-116217457-A 4-amino-1H-pyrrole compound, preparation method and application 中国药科大学 2023-06-06 — — CN disclosed
CN-112321477-B 3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application 中国药科大学 2022-07-12 — — CN disclosed
WO-2022111202-A1 3,5-DIMETHYL-4-SULFONE GROUP-1H-PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国药科大学 2022-06-02 — — WO disclosed
WO-2022111202-A1 3,5-DIMETHYL-4-SULFONE GROUP-1H-PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国药科大学 2022-06-02 — — WO disclosed
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 — — US disclosed
CN-112321477-A 3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application 中国药科大学 2021-02-05 — — CN disclosed
EP-3038618-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-14 — — EP disclosed
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-24 — — US disclosed
CN-107056630-B Indane derivative, and synthesis method and medical application thereof 合肥工业大学 2020-01-17 — — CN disclosed
US-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-09-13 — — US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 — — US disclosed
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 — — US disclosed
EP-3038618-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2016-07-06 — — EP disclosed
WO-2015031608-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-03-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 MCL1 1/4885TSHR 4587/4885POLB 3305/4885
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 MCL1 1/4885TSHR 4587/4885POLB 3305/4885
US-12637447-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors MCL1, BCL2L1, BCL2L2 MCL1 1/4885TSHR 1855/4885POLB 3449/4885
US-20240140940-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS MCL1, BCLAF1, BCL2A1 MCL1 1/4885TSHR 4005/4885POLB 1905/4885
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS MCL1, BCLAF1, BCL2A1 MCL1 1/4885TSHR 4005/4885POLB 1905/4885
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors MCL1, BCLAF1, BCL2A1 MCL1 1/4885TSHR 4005/4885POLB 1905/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 MCL1 1/4885TSHR 4587/4885POLB 3305/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 MCL1 1/4885TSHR 4587/4885POLB 3305/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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