SCHEMBL9905172

SCHEMBL9905172

Cc1ccc(S(=O)(=O)OCC23CCC(NC(=O)C(=O)O)(CC2)c2nc(C(=O)NCc4ccc(F)c(C)c4)c(O)c(=O)n2C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
MMP13 P45452 7/20 0.33
MMP10 P09238 4/20 0.31
MMP8 P22894 4/20 0.31
CYP2C9 P11712 1/20 0.31
MMP9 P14780 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 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
SCHEMBL9901046 0.93 CYP2C9 (0.37) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9942971 0.92 KCNH2 (0.35) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9942882 0.90 RORC (0.32) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9942869 0.89 MMP13 (0.35) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9904915 0.84 CYP2C9 (0.38) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9904934 0.84 MMP13 (0.36) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9942948 0.83 KCNH2 (0.43) KCNH2CYP2C9MEN1KMT2A
SCHEMBL9942931 0.83 KCNH2 (0.34) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9904945 0.82 CYP2C9 (0.40) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9942893 0.81 CYP2C9 (0.39) KCNH2MMP13MMP10MMP8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649077-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 EP claimed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US claimed
WO-2012078834-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO claimed
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
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 KCNH2 3969/4885MMP13 4137/4885MMP10 2158/4885

“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.