SCHEMBL11991497

SCHEMBL11991497

COCC(COC)Nc1cc(F)c(Oc2ncccc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.43
▸ ROCK2 O75116 2/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ SSTR4 P31391 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL11922609 0.88 P2RY1 (0.46) P2RY1ROCK2FPR2SCN9ATDP1
SCHEMBL11991469 0.86 SCN9A (0.43) P2RY1FPR2SCN9ATDP1
SCHEMBL13044770 0.80 CFTR (0.53) P2RY1ROCK2FPR2SCN9ATDP1
SCHEMBL11991640 0.80 PTK2 (0.33) SCN9ACFTRPTK2
SCHEMBL11922625 0.79 P2RY1 (0.43) P2RY1TDP1SSTR4CFTRPTK2
SCHEMBL12303350 0.79 P2RY1 (0.49) P2RY1ROCK2MAPTCARM1PRMT6
SCHEMBL11922594 0.78 TDP1 (0.41) P2RY1FPR2SCN9ATDP1CFTR
SCHEMBL11992930 0.77 SCN9A (0.45) P2RY1FPR2SCN9ATDP1
SCHEMBL11991467 0.77 SCN9A (0.44) P2RY1FPR2SCN9ATDP1
SCHEMBL11991495 0.76 P2RY1 (0.35) P2RY1ROCK2FPR2SCN9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 — — US disclosed
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 — — US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — 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 (2 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-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H P2RY1 1700/4885ROCK2 3093/4885FPR2 3185/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H P2RY1 1700/4885ROCK2 3093/4885FPR2 3185/4885

“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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