Sugi Predict

Sugi Predict / Compounds / SCHEMBL6448957

SCHEMBL6448957

SCHEMBL6448957

O=C(O)c1ccc(CBr)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 3/20 0.44
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ACE2 Q9BYF1 5/20 0.41
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40

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
Ethane SCHEMBL27487022 0.96 KDM4E (0.44) KDM4ETSHRTP53POLBL3MBTL1
SCHEMBL28180523 0.86 KDM4E (0.48) KDM4ETSHRTP53POLBL3MBTL1
SCHEMBL27994728 0.85 TSHR (0.55) KDM4ETSHRCA1CA2GAA
SCHEMBL7109116 0.85 KDM4E (0.44) KDM4ETSHRTP53POLBL3MBTL1
SCHEMBL30028599 0.83 TSHR (0.46) KDM4ETSHRTP53POLBL3MBTL1
SCHEMBL3980824 0.83 TSHR (0.46) KDM4ETSHRTP53POLBL3MBTL1
SCHEMBL29192895 0.83 KDM4E (0.43) KDM4ETSHRCA12CA1CA2
SCHEMBL31370442 0.82 TPMT (0.47) KDM4ETSHRTP53POLBL3MBTL1
SCHEMBL8482490 0.82 ACE2 (0.50) KDM4ETSHRTP53POLBL3MBTL1
SCHEMBL8482484 0.82 KDM4E (0.48) KDM4ETSHRTP53POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778230-A A kind of synthetic method of tetrahydro isoquinoline derivative 湖南华腾制药有限公司 2018-03-09 — — CN claimed
CN-104892588-B Photochromic indazole thiophene hybrid-type perfluorinated cyclopentene compound and its synthetic method and application 江西科技师范大学 2017-07-07 — — CN claimed
CN-105209457-A Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE DEUTSCHLAND 2015-12-30 — — CN claimed
CN-103619846-A 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives JANSSEN PHARMACEUTICA NV 2014-03-05 — — CN claimed
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 — — US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 — — US disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 — — WO disclosed
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 — — EP disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 — — US disclosed
CN-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 — — CN disclosed
US-20230002397-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-05 — — US disclosed
WO-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 — — WO disclosed
EP-0369733-B1 Fluorescent indicator dyes for alkali metal cations, their preparation and use UNIV CALIFORNIA (US) 1996-02-21 — — EP disclosed
EP-0540334-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-03 — — EP disclosed
US-5416099-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1995-05-16 — — US disclosed
US-5389631-A A piperidinyl quinazoline or 1,3-benzodiazepine antiagglomerants of blood MERCK & CO., INC. (US) 1995-02-14 — — US disclosed
US-5272158-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1993-12-21 — — US disclosed
EP-0540334-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1993-05-05 — — EP disclosed
US-5134232-A Diagnosis; concentration in blood THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-07-28 — — US disclosed
EP-0369733-A2 Fluorescent indicator dyes for alkali metal cations, their preparation and use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-23 — — EP 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 (4 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-20230002397-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METODS OF USE IKZF2, IKZF1, HELZ KDM4E 825/4885TSHR 4088/4885TP53 410/4885
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 KDM4E 4292/4885TSHR 1181/4885TP53 695/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 KDM4E 4292/4885TSHR 1181/4885TP53 695/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 KDM4E 4292/4885TSHR 1181/4885TP53 695/4885

“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.