SCHEMBL9942882

SCHEMBL9942882

Cc1ccc(S(=O)(=O)OCC23CCC(NC(=O)OCc4ccccc4)(CC2)c2nc(C(=O)NCc4ccc(F)c(C)c4)c(O)c(=O)n2C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.32
P2RX7 Q99572 5/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP13 P45452 4/20 0.31
MMP10 P09238 2/20 0.31
MMP8 P22894 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
PPIA P62937 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9905172 0.90 KCNH2 (0.35) KCNH2MEN1KMT2AMMP13MMP10
SCHEMBL9943040 0.89 MMP13 (0.34) RORCKCNH2MEN1KMT2AMMP13
SCHEMBL9942971 0.89 KCNH2 (0.35) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9942931 0.88 KCNH2 (0.34) RORCP2RX7KCNH2MMP13MMP10
SCHEMBL9942973 0.88 MMP13 (0.35) RORCKCNH2MMP13MMP10MMP8
SCHEMBL9901046 0.87 CYP2C9 (0.37) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9942869 0.85 MMP13 (0.35) KCNH2MMP13MMP10MMP8CYP2C9
SCHEMBL9900673 0.84 P2RX7 (0.34) P2RX7MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9943021 0.82 MMP13 (0.34) RORCMEN1KMT2AMMP13MMP10
SCHEMBL14212557 0.82 P2RX7 (0.35) P2RX7ALDH1A1MAPTSMN1; 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 5 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
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 RORC 1817/4885P2RX7 3911/4885KCNH2 3969/4885

“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.