SCHEMBL3977295

SCHEMBL3977295

CCCC(C)CNc1ccc(Cl)cc1C(=O)NC(CC(=O)OC)c1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.40
▸ PTGER4 P35408 3/20 0.40
▸ PTGER2 P43116 2/20 0.39
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ DCAF1 Q9Y4B6 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ APLNR P35414 1/20 0.35

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
SCHEMBL4255107 0.94 PTGER4 (0.41) PTGER4PTGER2UTS2R
SCHEMBL5926517 0.88 CYP26A1 (0.41) PTGER4PTGER2KCNA5
SCHEMBL4000018 0.85 LMNA (0.40) TACR3
SCHEMBL3977291 0.85 PYGL (0.41) TACR3
SCHEMBL3978720 0.85 ITGA4 (0.44) —
SCHEMBL5926305 0.83 CYP26A1 (0.44) PTGER4KCNA5
SCHEMBL4831591 0.83 TACR3 (0.44) TACR3PTGER4PTGER2ROCK2ROCK1
SCHEMBL5926851 0.82 TACR3 (0.44) TACR3PTGER4PTGER2ROCK2ROCK1
SCHEMBL3979415 0.82 TACR3 (0.44) TACR3PTGER4PTGER2ROCK2ROCK1
SCHEMBL3994541 0.82 KCNA5 (0.52) KCNA5

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-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 — — US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 TACR3 3391/4885PTGER4 325/4885PTGER2 131/4885

“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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