SCHEMBL1616518

SCHEMBL1616518

COC(=O)[C@H](CO)NCc1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP2D6 P10635 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDCD1 Q15116 9/20 0.45
CD274 Q9NZQ7 9/20 0.45
POLB P06746 1/20 0.44
MMP13 P45452 1/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
Hydrochloric Acid SCHEMBL29462360 0.84 PDCD1 (0.56) ALDH1A1CYP2D6PDCD1CD274MMP13
SCHEMBL14636601 0.83 ATM (0.56) ALDH1A1MEN1KMT2APDCD1CD274
SCHEMBL304265 0.83 ATM (0.56) ALDH1A1MEN1KMT2APDCD1CD274
SCHEMBL5878196 0.83 ATM (0.56) ALDH1A1MEN1KMT2APDCD1CD274
SCHEMBL23686662 0.83 ALDH1A1 (0.47) ALDH1A1CYP2D6MEN1KMT2APOLB
SCHEMBL1616460 0.82 ALDH1A1 (0.58) ALDH1A1CYP2D6MEN1KMT2APOLB
SCHEMBL1616311 0.82 ALDH1A1 (0.58) ALDH1A1CYP2D6MEN1KMT2APOLB
SCHEMBL7461258 0.81 CYP2C19 (0.60) ALDH1A1CYP2D6MEN1KMT2AKDM4E
SCHEMBL1616309 0.79 ALDH1A1 (0.46) ALDH1A1CYP2D6MEN1KMT2ACD274
SCHEMBL1279848 0.76 CD274 (0.43) ALDH1A1MEN1KMT2APDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8445692-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX INC. (US) 2013-05-21 US disclosed
US-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF SENOMYX, INC. (US) 2012-04-12 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 (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-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 ALDH1A1 2764/4885CYP2D6 2358/4885MEN1 2294/4885
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 ALDH1A1 1490/4885CYP2D6 3959/4885MEN1 3045/4885

“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.