SCHEMBL2170716

SCHEMBL2170716

Cc1cc(C(C)C(=O)O)ccc1NC(N)=S

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 12/20 0.45
▸ AKR1C2 P52895 12/20 0.45
▸ PTGS2 P35354 6/20 0.40
▸ PTGS1 P23219 3/20 0.40
▸ CDC42 P60953 1/20 0.40
▸ RAC1 P63000 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL2172054 0.88 AKR1C3 (0.48) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL2815572 0.76 NR1H4 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL2170471 0.76 NR1H4 (0.54) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL18550691 0.75 ALDH1A1 (0.48) CYP1A2MEN1ALDH1A1LMNAMAPT
SCHEMBL12167639 0.75 AKR1C3 (0.49) AKR1C3AKR1C2
SCHEMBL3680291 0.73 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL5453987 0.72 MEN1 (0.57) CYP1A2MEN1ALDH1A1HTTKMT2A
SCHEMBL30817854 0.72 MEN1 (0.57) CYP1A2MEN1ALDH1A1HTTKMT2A
SCHEMBL18550668 0.71 GAA (0.49) CYP1A2MEN1ALDH1A1LMNAMAPT
SCHEMBL30526268 0.71 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624036-B2 2-aryl-propionic acids and derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2014-01-07 — — US disclosed
US-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them DOMPE S.P.A. (IT) 2011-08-25 — — US disclosed
EP-2346841-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2011-07-27 — — EP disclosed
WO-2010031835-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2010-03-25 — — 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-20110207785-A1 2-Aryl-Propionic Acids and Derivatives and Pharmaceutical Compositions Containing Them CXCR3, F2RL1, FPR2 AKR1C3 1118/4885AKR1C2 2130/4885PTGS2 116/4885

“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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