SCHEMBL4808924

SCHEMBL4808924

COCc1c(C(=O)O)ncc2c1cc(C)n2Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGDR Q13258 1/20 0.42
F2RL3 Q96RI0 2/20 0.39
MAPK14 Q16539 4/20 0.38
ALDH1A1 P00352 1/20 0.37
ALKBH1 Q13686 1/20 0.37
ALOX5AP P20292 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
SCHEMBL4800776 0.83 PPARG (0.42) PTGER1PTGDR2CYP1A2CYP3A4CYP2C8
SCHEMBL5365217 0.75 PTGER1 (0.41) PTGER1PTGDR2CYP1A2CYP3A4CYP2C8
SCHEMBL4806797 0.74 PPARG (0.43) F2RL3MAPK14
SCHEMBL5372921 0.74 PTGDR2 (0.41) PTGER1PTGDR2CYP1A2CYP3A4CYP2C8
SCHEMBL2946969 0.73 PPARG (0.44)
SCHEMBL4804980 0.72 PPARG (0.43)
SCHEMBL15998945 0.70 NOTUM (0.57) PTGER1PTGDR2CYP1A2CYP3A4CYP2C8
SCHEMBL2948464 0.69 F2RL3 (0.41) PTGER1PTGDR2CYP1A2CYP3A4CYP2C8
SCHEMBL2952988 0.67 PPARG (0.45) F2RL3MAPK14
SCHEMBL2945848 0.65 ALDH1A1 (0.44) PTGER1PTGDR2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP PTGER1 3835/4885PTGDR2 4540/4885CYP1A2 198/4885

“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.