SCHEMBL5151969

SCHEMBL5151969

COc1ccc(-n2nc(C(F)F)cc2-c2ccc(CCNC(N)=O)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.45
PTGS1 P23219 8/20 0.45
ALDH1A1 P00352 2/20 0.41
ABCB11 O95342 1/20 0.41
SMO Q99835 1/20 0.40
FYN P06241 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL5148808 0.91 PTGS2 (0.46) PTGS2PTGS1ALDH1A1ABCB11SMO
SCHEMBL5418007 0.89 PTGS2 (0.48) PTGS2PTGS1ALDH1A1ABCB11MALT1
SCHEMBL14504520 0.88 PTGS2 (0.41) PTGS2PTGS1ALDH1A1ABCB11SMO
SCHEMBL14505090 0.87 PTGS2 (0.60) PTGS2PTGS1ALDH1A1ABCB11MALT1
SCHEMBL5148709 0.86 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5150618 0.85 SMO (0.39) SMOFYNMALT1P2RX7
SCHEMBL5426060 0.85 PTGS2 (0.46) PTGS2PTGS1ALDH1A1ABCB11SMO
SCHEMBL14504498 0.85 PTGS2 (0.48) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL14504588 0.85 PTGS2 (0.48) PTGS2PTGS1ALDH1A1ABCB11FYN
Hydrochloric Acid SCHEMBL5148784 0.84 PTGS2 (0.48) PTGS2PTGS1ALDH1A1ABCB11

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
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 PTGS2 1780/4885PTGS1 1105/4885ALDH1A1 544/4885

“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.