SCHEMBL539583

SCHEMBL539583

COC(=O)c1ccc(I)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
SOS1 Q07889 1/20 0.45
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
ABL1 P00519 1/20 0.42

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
SCHEMBL204305 0.85 SOS1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL31585831 0.82 CA12 (0.50) CA1CA2CA9CA12CA7
SCHEMBL15326189 0.82 CA12 (0.50) CA1CA2CA9CA12CA7
SCHEMBL3839211 0.81 NR4A2 (0.54) CA1CA2CA9CA12CA7
SCHEMBL14329237 0.81 GABRG2 (0.43) CA1CA2CA9CA12CA14
SCHEMBL14321761 0.81 CA12 (0.50) CA1CA2CA9CA12CA7
SCHEMBL70233 0.79 KDM4E (0.62) CA1CA2CA9CA12CA7
SCHEMBL2305885 0.79 KDM4E (0.57) CA1CA2CA9CA12CA7
SCHEMBL7062473 0.79 CA12 (0.67) CA1CA2CA9CA12CA7
SCHEMBL1770905 0.79 NR4A2 (0.50) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
EP-4638460-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2025-10-29 EP disclosed
EP-4637749-A2 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2025-10-29 EP disclosed
EP-4602028-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2025-08-20 EP disclosed
WO-2025060974-A1 N-SULFONYL CARBOXAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-03-27 WO disclosed
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-118922418-A Tetrahydroisoquinoline derivatives serving as pan-KRAS inhibitor as well as preparation method and application thereof 思路迪生物医药(上海)有限公司 2024-11-08 CN disclosed
CN-118388454-A Modulators of BCL6 proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2024-07-26 CN disclosed
WO-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 WO disclosed
WO-2024137674-A2 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-06-27 WO disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
EP-2148853-B1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-02-08 EP disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
CN-101663261-A Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2010-03-03 CN disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 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 (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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 CA1 3392/4885CA2 2385/4885CA9 1838/4885
US-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 CA1 4855/4885CA2 3705/4885CA9 4726/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 CA1 4855/4885CA2 3705/4885CA9 4726/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 CA1 4855/4885CA2 3705/4885CA9 4726/4885

“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.