SCHEMBL9942973

SCHEMBL9942973

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2(CCl)CCC3(NC(=O)OCc3ccccc3)CC2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.35
MMP10 P09238 3/20 0.34
MMP8 P22894 3/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
RORC P51449 1/20 0.33
PDE5A O76074 1/20 0.32
S1PR3 Q99500 2/20 0.32
SCD O00767 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TPSAB1 Q15661 1/20 0.32
KCNH2 Q12809 1/20 0.32
PPIA P62937 1/20 0.32
CYP2C9 P11712 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
SCHEMBL9943040 0.92 MMP13 (0.34) MMP13MMP10MMP8ITGB3ITGAV
SCHEMBL9942882 0.88 RORC (0.32) MMP13MMP10MMP8ITGB3ITGAV
SCHEMBL9942909 0.84 CYP2C9 (0.41) MMP13MMP10MMP8SCDKCNH2
SCHEMBL9943021 0.84 MMP13 (0.34) MMP13MMP10MMP8ITGB3ITGAV
SCHEMBL9943066 0.82 MMP13 (0.41) MMP13MMP10MMP8SCDKCNH2
SCHEMBL64306 0.81 KCNH2 (0.41) KCNH2CYP2C9
SCHEMBL9942893 0.80 CYP2C9 (0.39) MMP13MMP10MMP8KCNH2CYP2C9
SCHEMBL9904914 0.78 CYP2C9 (0.39) MMP13MMP10MMP8KCNH2CYP2C9
SCHEMBL9942892 0.78 CYP2C9 (0.39) MMP13MMP10MMP8KCNH2CYP2C9
SCHEMBL9905237 0.78 CYP2C9 (0.41) MMP13MMP10MMP8SCDKCNH2

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 MMP13 4137/4885MMP10 2158/4885MMP8 2799/4885

“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.