SCHEMBL30443166

SCHEMBL30443166

Cc1cc(C(F)(F)F)nn1-c1ccc(CO)nc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.54
ORAI1 Q96D31 2/20 0.54
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
USP1 O94782 5/20 0.39
PTGS2 P35354 5/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CRACR2A Q9BSW2 1/20 0.38
PTGS1 P23219 2/20 0.36
TRPC3 Q13507 1/20 0.36

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
SCHEMBL25180836 1.00 STIM1 (0.54) STIM1ORAI1MAPTPOLBUSP1
SCHEMBL25184772 0.86 STIM1 (0.54) STIM1ORAI1MAPTUSP1PTGS2
SCHEMBL25200602 0.80 STIM1 (0.58) STIM1ORAI1MAPTUSP1PTGS2
SCHEMBL22122069 0.80 PTGS2 (0.55) STIM1ORAI1MAPTPOLBUSP1
SCHEMBL31346281 0.79 STIM1 (0.54) STIM1ORAI1MAPTPOLBUSP1
SCHEMBL14226059 0.79 STIM1 (0.54) STIM1ORAI1MAPTUSP1PTGS2
SCHEMBL25465526 0.76 STIM1 (0.51) STIM1ORAI1MAPTUSP1PTGS2
SCHEMBL14240853 0.76 STIM1 (0.51) STIM1ORAI1MAPTUSP1PTGS2
SCHEMBL31497601 0.76 STIM1 (0.48) STIM1ORAI1PTGS2
SCHEMBL31566340 0.75 STIM1 (0.46) STIM1ORAI1MAPTPTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034133-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2025-01-30 US disclosed
CN-119173512-A Small molecule inhibitors of ubiquitin-specific protease 1 (USP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-12-20 CN disclosed
EP-4430041-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF Insilico Medicine IP Limited (HK) 2024-09-18 EP disclosed
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 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 (1 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-20250034133-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF USP1, USP2, USP28 STIM1 3500/4885ORAI1 4660/4885MAPT 1406/4885

“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.