SCHEMBL1644378

SCHEMBL1644378

CCOC(=O)c1cnc(C(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GABRA1 P14867 7/20 0.48
GABRG2 P18507 7/20 0.48
GABRB3 P28472 7/20 0.48
GABRA5 P31644 7/20 0.48
GABRA3 P34903 7/20 0.48
GABRA2 P47869 7/20 0.48
GABRA4 P48169 7/20 0.48
GABRA6 Q16445 7/20 0.48
GABRP O00591 6/20 0.48
GABRD O14764 6/20 0.48
GABRB1 P18505 6/20 0.48
GABRB2 P47870 6/20 0.48
GABRE P78334 6/20 0.48
GABRG1 Q8N1C3 6/20 0.48
GABRG3 Q99928 6/20 0.48
GABRQ Q9UN88 6/20 0.48

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
SCHEMBL1019601 0.92 CYP1A2 (0.59) CYP1A2POLBGABRA1GABRG2GABRB3
SCHEMBL1644521 0.85 POLB (0.70) CYP1A2POLBCYP2C19ALDH1A1LMNA
SCHEMBL197360 0.83 CYP1A2 (0.50) CYP1A2POLBGABRA1GABRG2GABRB3
SCHEMBL31285451 0.81 GABRA1 (0.49) CYP1A2POLBGABRA1GABRG2GABRB3
SCHEMBL7999648 0.81 SIRT6 (0.52) CYP1A2POLBCYP2C19GABRA1GABRG2
SCHEMBL600789 0.81 GABRA1 (0.49) CYP1A2POLBGABRA1GABRG2GABRB3
SCHEMBL30986210 0.81 SIRT6 (0.52) CYP1A2POLBCYP2C19GABRA1GABRG2
SCHEMBL8883054 0.81 POLB (0.49) CYP1A2POLBGABRA1GABRG2GABRB3
SCHEMBL991765 0.81 POLB (0.49) CYP1A2POLBGABRA1GABRG2GABRB3
SCHEMBL9318633 0.81 KDM4E (0.49) CYP1A2CYP2C9CYP2C19GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP disclosed
EP-1105775-B1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INC (US) 2006-09-06 EP disclosed
EP-1105775-A4 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INC (US) 2005-04-13 EP disclosed
US-6517746-B1 Polarizing material is a complex of (a) elemental iodine; (b) a hydrohalide acid or an ammonium, alkali metal or alkaline earth halide; (c) a pyrazine-2,5-dicarboxylic acid; and (d) a monoamide or monoester of a pyrazine-2,5-dicarboxylic acid RESEARCH FRONTIERS INCORPORATED 2003-02-11 US disclosed
EP-1105775-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2001-06-13 EP disclosed
WO-2000003178-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2000-01-20 WO disclosed
US-4120762-A POROUS SUPPORT IMPREGNATED WITH AN ELECTROLYTE, A MARKING COMPOUND AND A NITROGEN-CONTAINING SIX-MEMBERED HETEROCYCLIC AROMATIC CARBOXY ACID ALDEN RESEARCH FOUNDATION (US) 1978-10-17 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-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 CYP1A2 1777/4885POLB 4796/4885CYP2C9 2694/4885

“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.