SCHEMBL1279543

SCHEMBL1279543

COC(=O)CNCc1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP2D6 P10635 1/20 0.60
HIF1A Q16665 1/20 0.60
CA12 O43570 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 5/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MPO P05164 7/20 0.53
PKM P14618 1/20 0.50
SLC6A4 P31645 1/20 0.49
EGFR P00533 1/20 0.48
NOX4 Q9NPH5 1/20 0.48
AKR1B1 P15121 1/20 0.44

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
SCHEMBL6240662 0.85 TSHR (0.55) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL7224454 0.84 TSHR (0.53) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL38651523 0.84 TSHR (0.53) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL19910422 0.81 KMT2A (0.52) KDM4EMPOPKMSLC6A4
SCHEMBL20564087 0.81 KMT2A (0.55) TSHRKDM4E
SCHEMBL7058131 0.81 NPC1 (0.54) CYP2D6KDM4E
SCHEMBL3312130 0.81 ALDH1A1 (0.48) TSHRKDM4EHSD17B10
Hydrochloric Acid SCHEMBL8303604 0.81 HPGD (0.49) TSHRKDM4E
SCHEMBL6341212 0.81 KDM4E (0.57) TSHRCYP2D6KDM4E
SCHEMBL23257333 0.81 KDM4E (0.39) TSHRCYP2D6HIF1ACA12CA2

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104130247-B Human T 2 R bitterness receptors and application thereof 塞诺米克斯公司 2018-06-01 CN disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
CN-103275130-B 1,3 of amino acid ester group replacement, 2-benzo oxynitride phosphor heterocycle hexane compounds and uses thereof HUNAN SCI-TECH UNIV. (CN) 2016-05-04 CN disclosed
US-9247759-B2 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2016-02-02 US disclosed
US-9247759-B2 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2016-02-02 US disclosed
US-9247759-B2 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2016-02-02 US disclosed
EP-2487169-B1 Compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX INC (US) 2015-05-20 EP disclosed
EP-2487169-B1 Compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX INC (US) 2015-05-20 EP disclosed
CN-104130247-A Human T2R bitter taste receptors and the use thereof SENOMYX INC 2014-11-05 CN disclosed
US-20090274632-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2009-11-05 US disclosed
US-20090274632-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2009-11-05 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
WO-2009025793-A2 HUMAN T2R BITTERNESS RECEPTORS AND USES THEREOF SENOMYX, INC. (US) 2009-02-26 WO disclosed
WO-2009025793-A2 HUMAN T2R BITTERNESS RECEPTORS AND USES THEREOF SENOMYX, INC. (US) 2009-02-26 WO disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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-20090274632-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in composition and use thereof TAS2R50, TAS2R1, TAS2R30 TSHR 62/4885CYP2D6 1834/4885HIF1A 1980/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 TSHR 2120/4885CYP2D6 3959/4885HIF1A 1617/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA TSHR 780/4885CYP2D6 1134/4885HIF1A 2406/4885

“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.