SCHEMBL472526

SCHEMBL472526

[C-]#[N+]C(CC)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ G6PD P11413 1/20 0.38

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
SCHEMBL9404416 0.86 CA12 (0.49) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL186606 0.83 CA12 (0.43) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29956354 0.83 MCHR1 (0.44) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29950734 0.82 GAA (0.41) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2559136 0.82 CA2 (0.44) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL31106597 0.82 MCHR1 (0.47) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL31106589 0.82 MCHR1 (0.47) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10957173 0.81 ALDH1A1 (0.41) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11354319 0.81 GAA (0.39) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30828010 0.78 ALDH1A1 (0.43) GAAALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735553-A Substituted pyrimidine compound and preparation method and application thereof 上海应用技术大学 2025-04-01 — — CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 — — EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 — — US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 — — EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 — — EP disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 — — US disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 — — US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 — — WO disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 — — EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 — — US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 — — EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 — — WO disclosed
EP-0094668-B1 PYRROLE (3,4-D)(2)BENZAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-07-08 — — EP disclosed
US-4436662-A SEDATIVES, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1984-03-13 — — US disclosed
EP-0094668-A2 Pyrrole (3,4-d)(2)benzazepine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 — — 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 (2 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 GAA 561/4885ALDH1A1 976/4885CYP3A4 448/4885
US-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 GAA 3675/4885ALDH1A1 2031/4885CYP3A4 1644/4885

“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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