SCHEMBL6770355

SCHEMBL6770355

COC(=O)[C@@H]1CC(Oc2ccc(Br)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.52
P2RX3 P56373 1/20 0.52
BCL2 P10415 4/20 0.44
BCL2L1 Q07817 3/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL6770357 1.00 MCL1 (0.52) MCL1P2RX3BCL2BCL2L1MMP2
SCHEMBL25365111 0.90 P2RX3 (0.53) MCL1P2RX3BCL2BCL2L1
SCHEMBL6846804 0.90 P2RX3 (0.53) MCL1P2RX3
SCHEMBL6846802 0.90 P2RX3 (0.53) MCL1P2RX3
SCHEMBL18617461 0.89 P2RX3 (0.52) MCL1P2RX3
SCHEMBL12442648 0.89 P2RX3 (0.52) MCL1P2RX3
SCHEMBL3263994 0.89 P2RX3 (0.63) MCL1P2RX3BCL2BCL2L1MMP2
SCHEMBL18754654 0.89 P2RX3 (0.52) MCL1P2RX3
SCHEMBL29523156 0.89 P2RX3 (0.52) MCL1P2RX3
SCHEMBL15719188 0.88 P2RX3 (0.51) MCL1P2RX3

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-6710064-B2 FOR THERAPY OF INFLAMMATORY OR IMMUNE DISEASES BRISTOL-MYERS SQUIBB CO. 2004-03-23 US disclosed
EP-1339718-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2003-09-03 EP disclosed
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US disclosed
WO-2002044181-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-06 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-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents HRH4, IL4I1, HRH2 MCL1 1583/4885P2RX3 1304/4885BCL2 3238/4885

“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.