SCHEMBL11922610

SCHEMBL11922610

COC(=O)c1cc(Oc2ncc(C=O)cc2C(F)(F)F)c(F)cc1NC(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ LRRK2 Q5S007 10/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CFTR P13569 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK10 P53779 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL11922620 0.85 KMT2A (0.36) SCN9AMAPTCFTRKDM4EMAPK10
SCHEMBL11922560 0.84 ESRRA (0.37) MAPTCFTRKDM4EALDH1A1POLB
SCHEMBL11922595 0.82 PTK2 (0.34) SCN9APTK2LRRK2MAPTCFTR
SCHEMBL11922609 0.81 P2RY1 (0.46) SCN9APTK2MAPTCFTR
SCHEMBL13044739 0.76 SCN9A (0.34) SCN9APTK2
SCHEMBL11922613 0.75 SCN9A (0.35) SCN9ALRRK2MAPTKDM4EALDH1A1
SCHEMBL11991478 0.74 PTK2 (0.32) SCN9APTK2LRRK2CFTR
SCHEMBL11922630 0.73 SCN9A (0.33) SCN9APTK2LRRK2KDM4EIRAK4
SCHEMBL13944249 0.73 CFTR (0.33) SCN9APTK2MAPTCFTRKDM4E
SCHEMBL11991498 0.73 PTK2 (0.33) SCN9APTK2LRRK2CFTR

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 4 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

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 SCN9A 2265/4885PTK2 4598/4885LRRK2 4149/4885

“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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