SCHEMBL11922609

SCHEMBL11922609

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)c(F)cc1NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.46
▸ FPR2 P25090 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ SSTR4 P31391 1/20 0.37

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
SCHEMBL11922594 0.89 TDP1 (0.41) P2RY1FPR2SCN9ATDP1CFTR
SCHEMBL11991497 0.88 P2RY1 (0.43) P2RY1FPR2SCN9ATDP1ROCK2
SCHEMBL11922572 0.84 FPR2 (0.48) P2RY1FPR2SCN9ATDP1MAPT
SCHEMBL11922625 0.84 P2RY1 (0.43) P2RY1TDP1CFTRPTK2SSTR4
SCHEMBL13044770 0.83 CFTR (0.53) P2RY1FPR2SCN9ATDP1ROCK2
SCHEMBL11922610 0.81 SCN9A (0.34) SCN9ACFTRMAPTPTK2
SCHEMBL12303350 0.80 P2RY1 (0.49) P2RY1ROCK2MAPTCARM1PRMT6
SCHEMBL11922586 0.80 FPR2 (0.41) P2RY1FPR2SCN9A
SCHEMBL11922595 0.79 PTK2 (0.34) SCN9ACFTRMAPTPTK2
SCHEMBL11922560 0.77 ESRRA (0.37) CFTRMAPT

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-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — 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-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E P2RY1 1687/4885FPR2 2994/4885SCN9A 2265/4885

“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.

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