SCHEMBL20582539

SCHEMBL20582539

COc1ccc(C/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 0.67
▸ S1PR3 Q99500 14/20 0.67
▸ FAAH O00519 1/20 0.59
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL17302129 0.96 S1PR1 (0.70) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17295234 0.93 S1PR1 (0.67) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17295236 0.93 S1PR1 (0.67) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17295245 0.90 S1PR1 (0.63) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17295244 0.90 S1PR1 (0.63) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17295262 0.90 S1PR1 (0.57) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17295261 0.90 S1PR1 (0.57) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17302133 0.89 S1PR1 (0.63) S1PR1S1PR3HPGDPOLBKMT2A
SCHEMBL19107400 0.87 S1PR1 (0.62) S1PR1S1PR3FAAHHPGDPOLB
SCHEMBL17295558 0.85 THRB (0.58) S1PR1S1PR3KMT2ANPSR1ALDH1A1

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
EP-4011879-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2022-06-15 — — EP disclosed
EP-3148990-B1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIV BERN (CH) 2022-01-19 — — EP disclosed
US-10155754-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2018-12-18 — — 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-10155754-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 S1PR1 211/4885S1PR3 227/4885FAAH 4/4885

“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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