SCHEMBL9942900

SCHEMBL9942900

Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)CCC(C#N)(NC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.44
CTSS P25774 7/20 0.44
CTSB P07858 4/20 0.44
CTSK P43235 6/20 0.42
LMNA P02545 2/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
MAPT P10636 1/20 0.40
P2RX7 Q99572 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL28328057 0.81 LMNA (0.48) CTSLCTSSCTSBLMNACA1
SCHEMBL9900865 0.81 LMNA (0.43) CTSLCTSSCTSBCTSKLMNA
SCHEMBL1018180 0.81 CTSL (0.57) CTSLCTSSCTSBCTSKLMNA
SCHEMBL14119349 0.78 CTSL (0.41) CTSLCTSSCTSBCTSK
SCHEMBL52449 0.77 CTSS (0.52) CTSLCTSSCTSBCTSK
SCHEMBL23540158 0.77 APP (0.50) LMNACA1CA2MAPTP2RX7
SCHEMBL30994224 0.76 LMNA (0.45) CTSLCTSSCTSBLMNACA1
SCHEMBL9900827 0.75 CTSL (0.63) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL14212555 0.75 LMNA (0.34) CTSLCTSSCTSBCTSKLMNA
SCHEMBL30117973 0.74 CTSL (0.53) CTSLCTSSCTSBCTSKLMNA

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-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CTSL 3453/4885CTSS 3030/4885CTSB 2999/4885

“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.