SCHEMBL9942922

SCHEMBL9942922

CCOC(=O)C=C(ONC(=N)C1(NC(=O)OCc2ccccc2)CCC(COS(=O)(=O)c2ccc(C)cc2)(COS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
LMNA P02545 1/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CTSB P07858 3/20 0.34
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
P2RX7 Q99572 5/20 0.34
HPN P05981 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
MAPT P10636 1/20 0.33
RORC P51449 1/20 0.32
CTSK P43235 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9900865 0.83 LMNA (0.43) LMNACA1CA2CTSBCTSS
SCHEMBL9942885 0.81 CTSS (0.38) F13A1TGM2TGM1CTSBCTSS
SCHEMBL2081430 0.81 F13A1 (0.44) F13A1TGM2TGM1CTSBCTSS
SCHEMBL51559 0.80 CTSS (0.38) CTSBCTSSCTSLRORCCTSK
SCHEMBL14235106 0.79 LMNA (0.35) LMNACA1CA2CTSBCTSS
SCHEMBL63524 0.79 CTSS (0.37) CTSBCTSSCTSLRORCCTSK
SCHEMBL13691697 0.79 CTSS (0.37) CTSBCTSSCTSLRORCCTSK
SCHEMBL9901522 0.78 CA1 (0.35) F13A1TGM2TGM1LMNACA1
SCHEMBL13657353 0.77 RORC (0.38) CTSBCTSSCTSLRORCCTSK
SCHEMBL13657354 0.75 RORC (0.37) CTSBCTSSCTSLRORCCTSK

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-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
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 F13A1 1085/4885TGM2 3294/4885TGM1 2658/4885

“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.