SCHEMBL17309397

SCHEMBL17309397

C=CCc1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(C)C2=O)cc(OCC)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.61
▸ ITGAV P06756 1/20 0.61
▸ PTP4A3 O75365 1/20 0.58
▸ PPARG P37231 1/20 0.56
▸ AURKA O14965 7/20 0.46
▸ AURKB Q96GD4 6/20 0.46
▸ INCENP Q9NQS7 6/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CSF1R P07333 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ MAP3K19 Q56UN5 1/20 0.45
▸ PIP4K2C Q8TBX8 1/20 0.45

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
SCHEMBL19481518 1.00 ITGB3 (0.61) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL17309369 0.89 ITGB3 (0.59) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL17309399 0.80 ALDH1A1 (0.55) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL19481526 0.77 AURKA (0.46) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL14883359 0.76 ITGB3 (1.00) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL12717615 0.76 ITGB3 (1.00) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL12717769 0.76 ITGB3 (0.86) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL14876910 0.76 ITGB3 (1.00) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL14876908 0.76 ITGB3 (1.00) ITGB3ITGAVPTP4A3PPARGAURKA
SCHEMBL14876911 0.76 ITGB3 (1.00) ITGB3ITGAVPTP4A3PPARGAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148541-B1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIV BERN (CH) 2020-09-02 — — EP disclosed
US-20170296515-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2017-10-19 — — US disclosed
US-20170296515-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2017-10-19 — — US disclosed
EP-2952188-A1 Thiazolidinones as cellular anandamide uptake inhibitors and their use in the treatment of psychiatric or neurological disorders and inflammation, in particular neuroinflammation Universität Bern (CH) 2015-12-09 — — EP disclosed
WO-2015181336-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2015-12-03 — — 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-20170296515-A1 THIAZOLIDINONES AS CELLULAR ANANDAMIDE UPTAKE INHIBITORS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION SLC18A2, AANAT, CNR2 ITGB3 2999/4885ITGAV 3231/4885PTP4A3 1617/4885

“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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