SCHEMBL20933003

SCHEMBL20933003

COc1ccc(/N=C2\S/C(=C\c3ccc4[nH]ccc4c3)C(=O)N2c2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 15/20 0.50
▸ S1PR3 Q99500 15/20 0.50
▸ FAAH O00519 2/20 0.49
▸ MEN1 O00255 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL17295493 0.89 FAAH (0.45) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL17295495 0.89 FAAH (0.45) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL17302226 0.87 FAAH (0.66) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL20932949 0.87 S1PR1 (0.50) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL29726570 0.85 FAAH (0.66) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL17295397 0.85 FAAH (0.66) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL17295400 0.85 FAAH (0.66) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL17295541 0.82 S1PR1 (0.54) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL17295542 0.82 S1PR1 (0.54) S1PR1S1PR3FAAHMEN1ALDH1A1
SCHEMBL17295515 0.81 MEN1 (0.61) S1PR1S1PR3FAAHMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2019-04-25 — — 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-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 S1PR1 1449/4885S1PR3 1366/4885FAAH 245/4885

“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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