SCHEMBL9943040

SCHEMBL9943040

CC(=O)OCC12CCC(NC(=O)OCc3ccccc3)(CC1)c1nc(C(=O)NCc3ccc(F)c(C)c3)c(O)c(=O)n1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.34
MMP10 P09238 3/20 0.33
MMP8 P22894 3/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
PPIA P62937 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CYP2C9 P11712 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 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
SCHEMBL9943021 0.92 MMP13 (0.34) MMP13MMP10MMP8ITGB3ITGAV
SCHEMBL9942973 0.92 MMP13 (0.35) MMP13MMP10MMP8ITGB3ITGAV
SCHEMBL9942882 0.89 RORC (0.32) MMP13MMP10MMP8ITGB3ITGAV
SCHEMBL9904914 0.86 CYP2C9 (0.39) MMP13MMP10MMP8CYP2C9KCNH2
SCHEMBL9942893 0.82 CYP2C9 (0.39) MMP13MMP10MMP8CYP2C9KCNH2
SCHEMBL9942892 0.81 CYP2C9 (0.39) MMP13MMP10MMP8CYP2C9KCNH2
SCHEMBL9943018 0.80 CYP2C9 (0.41) MMP13MMP10MMP8CYP2C9KCNH2
SCHEMBL64306 0.80 KCNH2 (0.41) CYP2C9KDM4EMEN1KMT2AKCNH2
SCHEMBL9904945 0.80 CYP2C9 (0.40) MMP13MMP10MMP8CYP2C9KCNH2
SCHEMBL9942914 0.79 MMP13 (0.34) MMP13MMP10MMP8CYP2C9SCD

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.