Sugi Predict

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SCHEMBL4175244

SCHEMBL4175244

CCOC(=O)CCc1c(C(=O)OCC)[nH]c2c(Br)cc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX15 P16050 5/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR1D P28221 1/20 0.39

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
SCHEMBL4154309 0.87 ALDH1A1 (0.43) CYP1A2HPGDALDH1A1XBP1CYP2C19
SCHEMBL4168724 0.82 HTR6 (0.50) CYP1A2HPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL17113322 0.81 MCL1 (0.55) —
SCHEMBL15622363 0.81 HTR6 (0.43) CYP1A2HPGDMAPK1SMN1; SMN2CYP2C9
SCHEMBL15622518 0.80 MAPK1 (0.46) CYP1A2HPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL15622511 0.80 ALDH1A1 (0.63) CYP1A2HPGDALDH1A1XBP1CYP2C19
SCHEMBL22436712 0.78 HTR6 (0.45) CYP1A2HPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL15622114 0.78 MAPK1 (0.42) CYP1A2HPGDMAPK1SMN1; SMN2CYP2C9
SCHEMBL15622620 0.78 ALOX15 (0.64) CYP1A2HPGDALDH1A1XBP1CYP2C19
SCHEMBL15622132 0.78 MAPK1 (0.46) CYP1A2HPGDALDH1A1MAPK1SMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 — — US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 — — US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 — — US disclosed
CN-106456602-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2020-11-24 — — CN disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 — — EP disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 — — US disclosed
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 — — EP disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 — — EP disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 — — EP disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 — — US disclosed
EP-3122353-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2017-02-01 — — EP disclosed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 — — US disclosed
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC (US) 2015-10-08 — — US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 — — WO disclosed
US-9035047-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2015-05-19 — — US disclosed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 — — US disclosed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 — — US disclosed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 — — EP disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 — — US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 — — 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-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 CYP1A2 3383/4885HPGD 3158/4885ALDH1A1 1900/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 CYP1A2 3383/4885HPGD 3158/4885ALDH1A1 1900/4885
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CYP1A2 4682/4885HPGD 2913/4885ALDH1A1 2525/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 CYP1A2 3383/4885HPGD 3158/4885ALDH1A1 1900/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CYP1A2 4682/4885HPGD 2913/4885ALDH1A1 2525/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 CYP1A2 3383/4885HPGD 3158/4885ALDH1A1 1900/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 CYP1A2 3383/4885HPGD 3158/4885ALDH1A1 1900/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CYP1A2 4682/4885HPGD 2913/4885ALDH1A1 2525/4885

“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.