SCHEMBL3047306

SCHEMBL3047306

NCc1ccc2c(c1)COO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
CYP2A6 P11509 1/20 0.32
GSK3B P49841 1/20 0.32
PNMT P11086 1/20 0.31
ENPP2 Q13822 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31

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
SCHEMBL7074719 0.85 TAAR1 (0.34) TAAR1HRH3CA12CA1CA2
SCHEMBL11696212 0.81 CYP4F2 (0.38) CD274CA12CA2CA3CA4
SCHEMBL11695329 0.78 KDM4E (0.41) TAAR1CA12CA1CA2CA4
SCHEMBL7979213 0.78 CNR1 (0.39) TAAR1GSK3B
SCHEMBL11696742 0.78 TAAR1 (0.55) TAAR1PNMT
SCHEMBL11693754 0.77 HRH3 (0.39) TAAR1HRH3
SCHEMBL3686388 0.77 MAPT (0.53) GSK3B
SCHEMBL11695006 0.77 GABRA1 (0.40) TAAR1
SCHEMBL11695911 0.77 IDH1 (0.42) CA1CA2
SCHEMBL1641530 0.75 CALM1 (0.35) CA2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422235-B2 Sulfonamide derivatives with therapeutic indications PHARMOS CORPORATION (US) 2016-08-23 US disclosed
US-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION 2010-03-04 US disclosed
EP-2139852-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS Pharmos Corporation (US) 2010-01-06 EP disclosed
WO-2008075353-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION (US) 2008-06-26 WO disclosed
US-7338954-B2 Compounds useful as motilin agonists and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-7262195-B2 Compounds useful as motilin agonists and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-28 US disclosed
US-20050080116-A1 Compounds useful as motilin agonists and method BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
WO-2005027908-A1 COMPOUNDS USEFUL AS MOTILIN AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-31 WO disclosed
WO-2005027637-A1 COMPOUNDS USEFUL AS MOTILIN AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-31 WO disclosed
US-20050065156-A1 Compounds useful as motilin agonists and method BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 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 (3 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-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS SULT2A1, STS, SULT1A1 TAAR1 2966/4885HRH3 1160/4885CD274 4637/4885
US-20050080116-A1 Compounds useful as motilin agonists and method MLNR, SSTR3, HRH4 TAAR1 249/4885HRH3 7/4885CD274 4431/4885
US-20050065156-A1 Compounds useful as motilin agonists and method MLNR, SSTR3, HRH2 TAAR1 289/4885HRH3 6/4885CD274 4480/4885

“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.