SCHEMBL4829822

SCHEMBL4829822

CC(C)(C)C=C(CBr)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.52
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.33
TET2 Q6N021 1/20 0.31
GRIK2 Q13002 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9418732 0.78 GRIK1 (0.53) GRIK1TSHRTET2GRIK2KDM4E
SCHEMBL7174695 0.78 GRIK1 (0.53) GRIK1TSHRTET2GRIK2KDM4E
SCHEMBL14723746 0.78 GRIK1 (0.53) GRIK1TSHRTET2GRIK2KDM4E
SCHEMBL7866400 0.76 TSHR (0.35) GRIK1TSHRKDM4E
SCHEMBL7866399 0.76 TSHR (0.35) GRIK1TSHRKDM4E
SCHEMBL14280076 0.76 GRIK1 (0.52) GRIK1TSHRTET2GRIK2KDM4E
SCHEMBL395188 0.74 GRIK1 (0.50) GRIK1TSHRTET2GRIK2
SCHEMBL346378 0.74
SCHEMBL7067796 0.74
SCHEMBL7067793 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452254-A2 TETRAHYDROPYRAZOLOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-10-30 EP disclosed
US-20230279016-A1 Tetrahydropyrazolopyrimidines and Related Analogs for Inhibiting YAP/TAZ-TEAD CISTIM LEUVEN VZW (BE) 2023-09-07 US disclosed
WO-2023122783-A2 TETRAHYDROPYRAZOLOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (3 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-20230279016-A1 Tetrahydropyrazolopyrimidines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD2, TEAD1 GRIK1 4061/4885TSHR 2776/4885TRPA1 4547/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 GRIK1 4546/4885TSHR 3882/4885TRPA1 4823/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 GRIK1 4546/4885TSHR 3882/4885TRPA1 4823/4885

“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.