SCHEMBL13044770

SCHEMBL13044770

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)c(F)cc1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.53
▸ P2RY1 P47900 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL11922573 0.83 CFTR (0.51) CFTRP2RY1TDP1FPR2SCN9A
SCHEMBL11922609 0.83 P2RY1 (0.46) CFTRP2RY1TDP1ROCK2FPR2
SCHEMBL11922625 0.82 P2RY1 (0.43) CFTRP2RY1TDP1
SCHEMBL11991497 0.80 P2RY1 (0.43) CFTRP2RY1TDP1ROCK2FPR2
SCHEMBL7021224 0.80 P2RY1 (0.43) P2RY1MAPT
SCHEMBL12303350 0.78 P2RY1 (0.49) P2RY1KDM4EROCK2MAPT
SCHEMBL13044755 0.77 CFTR (0.46) CFTRKDM4EROCK2MAPT
SCHEMBL11922628 0.75 SCN9A (0.36) CFTRP2RY1KDM4EROCK2FPR2
SCHEMBL22833380 0.75 CFTR (0.66) CFTRKDM4EMAPT
SCHEMBL12303690 0.74 TDP1 (0.49) CFTRP2RY1TDP1FPR2SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
WO-2009018656-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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B CFTR 1617/4885P2RY1 1931/4885KDM4E 3068/4885

“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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