SCHEMBL13044880

SCHEMBL13044880

COC(=O)c1cc(Oc2ccc(CCl)cc2C(F)(F)F)c(F)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ ENPP2 Q13822 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ESRRA P11474 1/20 0.30

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
SCHEMBL11991630 0.92 MRGPRX4 (0.31) MRGPRX4
SCHEMBL13044884 0.92 ALDH1A1 (0.31) ALDH1A1HPGDTSHRHSD17B10PTGDR2
SCHEMBL13946760 0.92 CYP3A4 (0.31) ALDH1A1HPGDTSHRHSD17B10PTGDR2
SCHEMBL13107303 0.88 ESRRA (0.34) MRGPRX4PTGDR2BRAFKDRESRRA
SCHEMBL13044701 0.88 ALDH1A1 (0.33) ALDH1A1HPGDTSHRHSD17B10TAS1R3
SCHEMBL13044704 0.88 SCN9A (0.35) BRAFKDR
SCHEMBL13044881 0.87 ESRRA (0.33) ALDH1A1HPGDTSHRHSD17B10TAS1R3
SCHEMBL13947535 0.87 ESRRA (0.33) ALDH1A1HPGDTSHRHSD17B10TAS1R3
SCHEMBL13044886 0.85 ESRRA (0.33) ALDH1A1HPGDTSHRHSD17B10TAS1R3
SCHEMBL11991628 0.85 TAS1R3 (0.30) TAS1R3TAS1R1TAS1R2

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 MRGPRX4 3373/4885ALDH1A1 1257/4885HPGD 1603/4885

“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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