SCHEMBL25423218

SCHEMBL25423218

COC(=O)c1cc(N2CCCCS2(=O)=O)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TP53 P04637 5/20 0.52
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LDHA P00338 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
OPRK1 P41145 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 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
SCHEMBL31079461 0.89 POLB (0.55) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL25424710 0.89 POLB (0.55) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL25423223 0.88 POLB (0.42) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL22033300 0.85 POLB (0.48) POLBTP53CA1CA2CA6
SCHEMBL31038304 0.85 TP53 (0.54) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL25229814 0.85 TP53 (0.54) POLBTP53LMNASMN1; SMN2LDHA
SCHEMBL22033078 0.81 MEN1 (0.48) POLBTP53SMN1; SMN2
SCHEMBL22081710 0.79 TP53 (0.46) POLBTP53LMNASMN1; SMN2
SCHEMBL15668319 0.79 ALDH1A1 (0.58) POLBTP53LMNASMN1; SMN2CA1
SCHEMBL15683404 0.79 SLC6A2 (0.47) POLBTP53SMN1; SMN2

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
EP-4448508-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118647606-A Benzothiophene derivatives as RXFP1 agonists 百时美施贵宝公司 2024-09-13 CN disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed