SCHEMBL11922628

SCHEMBL11922628

COC(=O)c1cc(Oc2ncccc2C(F)(F)F)c(F)cc1N(C(=O)c1ccc(Cl)cn1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ P2RX3 P56373 3/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ CFTR P13569 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ RBP4 P02753 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL11922608 0.92 LTC4S (0.36) SCN9AFPR2P2RX3P2RY1
SCHEMBL11922613 0.87 SCN9A (0.35) SCN9AMRGPRX4TGFBR1MEN1KMT2A
SCHEMBL11922612 0.87 SCN9A (0.35) SCN9AMRGPRX4TGFBR1MEN1KMT2A
SCHEMBL11922611 0.87 SCN9A (0.35) SCN9AMRGPRX4TGFBR1MEN1KMT2A
SCHEMBL11922596 0.85 SCN9A (0.33) SCN9AP2RX3MRGPRX4CFTRTGFBR1
SCHEMBL11922559 0.84 MRGPRX4 (0.38) SCN9AP2RX3MRGPRX4TGFBR1MEN1
SCHEMBL11922557 0.84 MRGPRX4 (0.38) SCN9AP2RX3MRGPRX4TGFBR1KDM4E
SCHEMBL11922556 0.84 MRGPRX4 (0.35) SCN9AP2RX3MRGPRX4TGFBR1MEN1
SCHEMBL11922616 0.81 EIF4EBP1 (0.35) SCN9AFPR2P2RX3
SCHEMBL11991608 0.81 SCN9A (0.33) SCN9AMRGPRX4TGFBR1MEN1KMT2A

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 2265/4885FPR2 2994/4885P2RX3 2448/4885

“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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