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SCHEMBL9905205

SCHEMBL9905205

Cc1cc(C(=O)NC23CCC(F)(CC2)Cn2c3nc(C(=O)NCc3ccc(F)c(C)c3)c(O)c2=O)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ S1PR3 Q99500 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MMP10 P09238 3/20 0.34
▸ MMP8 P22894 3/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ ABCB1 P08183 1/20 0.33

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
SCHEMBL9942918 0.91 MMP13 (0.37) MMP13CYP1A2CYP2D6CYP2C19S1PR3
SCHEMBL9904901 0.87 MMP13 (0.37) MMP13CYP1A2CYP2D6CYP2C19S1PR3
SCHEMBL9904898 0.87 MMP13 (0.38) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL9901256 0.86 CYP2C9 (0.42) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL9904944 0.85 MMP13 (0.39) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL9942985 0.84 HCRTR1 (0.40) MMP13S1PR3TSHRNPC1
SCHEMBL9904978 0.84 MMP13 (0.36) MMP13KCNH2CYP2C9
SCHEMBL9901738 0.83 KCNH2 (0.37) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL14212571 0.83 KCNH2 (0.37) MMP13KCNH2CYP2C9MMP10MMP8
SCHEMBL9902391 0.82 CYP2C9 (0.36) MMP13KCNH2CYP2C9MMP10MMP8

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 10 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-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
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 4137/4885CYP1A2 681/4885CYP2D6 704/4885

“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.