SCHEMBL4529293

SCHEMBL4529293

COc1cc(COS(C)(=O)=O)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
APLNR P35414 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
TSHR P16473 2/20 0.40
CYP19A1 P11511 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
PTGS2 P35354 1/20 0.38
ABCB1 P08183 1/20 0.37
CALM1 P0DP23 2/20 0.37
AKR1B1 P15121 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
SCHEMBL3305248 0.88 APLNR (0.37) ALDH1A1APLNRTSHRPOLBPTGS2
SCHEMBL3087323 0.88 FFAR4 (0.43) APLNRKMT2A
SCHEMBL16141656 0.84 CA12 (0.38) ALDH1A1APLNRCYP1A1CYP1B1CA12
SCHEMBL7167112 0.84 CA2 (0.39) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4209463 0.84 TAS2R14 (0.45) POLBKMT2ACA1CA2TAS2R14
SCHEMBL4402201 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1POLBKMT2A
SCHEMBL5636631 0.82 IDO1 (0.59) TAS2R14
SCHEMBL5937187 0.80 APLNR (0.59) APLNRPOLBCA12CA1CA2
SCHEMBL228874 0.78 ALDH1A1 (0.47) ALDH1A1APLNRTSHRCYP19A1CA1
SCHEMBL31385509 0.77 NPC1 (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP disclosed
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
CN-1167111-A Thiazolidinedione derivatives, method for preparing derivatives and pharmaceutical compositions containing same SENGA PHARMACEUTICAL LAB INC (JP) 1997-12-10 CN disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 ALDH1A1 2036/4885APLNR 185/4885CYP1A1 711/4885

“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.