SCHEMBL11922559

SCHEMBL11922559

COC(=O)c1cc(Oc2ccc(CCl)cc2C(F)(F)F)c(F)cc1N(C(=O)c1ccc(Cl)cn1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.38
▸ SCN9A Q15858 2/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ P2RX3 P56373 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 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
SCHEMBL11922557 0.94 MRGPRX4 (0.38) MRGPRX4SCN9ANPSR1KDM4EALDH1A1
SCHEMBL11922612 0.91 SCN9A (0.35) MRGPRX4SCN9ANPSR1KDM4EALDH1A1
SCHEMBL11922571 0.89 MRGPRX4 (0.34) MRGPRX4SCN9AS1PR3TGFBR1
SCHEMBL11922565 0.89 MRGPRX4 (0.38) MRGPRX4SCN9ANPSR1KDM4EALDH1A1
SCHEMBL11922556 0.88 MRGPRX4 (0.35) MRGPRX4SCN9ANPSR1KDM4EALDH1A1
SCHEMBL11922611 0.86 SCN9A (0.35) MRGPRX4SCN9ANPSR1KDM4EALDH1A1
SCHEMBL11922628 0.84 SCN9A (0.36) MRGPRX4SCN9AKDM4EALDH1A1TGFBR1
SCHEMBL11922613 0.83 SCN9A (0.35) MRGPRX4SCN9ANPSR1KDM4EALDH1A1
SCHEMBL11991615 0.83 MRGPRX4 (0.33) MRGPRX4SCN9ANPSR1KDM4EALDH1A1
SCHEMBL11922596 0.83 SCN9A (0.33) MRGPRX4SCN9ANPSR1KDM4EALDH1A1

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 MRGPRX4 2725/4885SCN9A 2265/4885NPSR1 2674/4885

“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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