SCHEMBL621752

SCHEMBL621752

CCC(COc1cccc(N)c1C#N)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK8 P45983 5/20 0.35
MAPK9 P45984 5/20 0.35
RPS27 P42677 2/20 0.35
MAPK10 P53779 2/20 0.35
CYP1A2 P05177 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASR P41180 1/20 0.33
PRKD3 O94806 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL620379 0.85 MTNR1A (0.41) MAPK1SMN1; SMN2
SCHEMBL28457032 0.85 SYK (0.47)
SCHEMBL31670276 0.85 SYK (0.47)
SCHEMBL21267912 0.83 SMN1; SMN2 (0.38) ADRB1MAPK1SMN1; SMN2MAPK8MAPK9
SCHEMBL621613 0.83 SMN1; SMN2 (0.38) ADRB1MAPK1SMN1; SMN2MAPK8MRGPRX4
SCHEMBL623385 0.80 HTT (0.41) MAPK1SMN1; SMN2MRGPRX4ALDH1A1MAPT
SCHEMBL620560 0.78 ALDH1A1 (0.39) MAPK8RPS27CYP1A2ALDH1A1MAPT
SCHEMBL617975 0.77 ALDH1A1 (0.38) MAPK8RPS27CYP1A2ALDH1A1MAPT
SCHEMBL617976 0.77 ALDH1A1 (0.38) MAPK8RPS27CYP1A2ALDH1A1MAPT
SCHEMBL4468812 0.77 ALDH1A1 (0.38) MAPK8RPS27CYP1A2ALDH1A1MAPT

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
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer FIREMENICH INCORPORATED (US) 2021-09-28 US disclosed
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 EP disclosed
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2019-07-11 US disclosed
US-10244779-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2019-04-02 US disclosed
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 US disclosed
US-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 US disclosed
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2015-09-03 US disclosed
US-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 US disclosed
US-9000054-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2015-04-07 US disclosed
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US disclosed
US-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
EP-2552207-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2013-02-06 EP disclosed
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 US disclosed
WO-2011123693-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2011-10-06 WO disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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 (9 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-10244779-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 ADRB1 4531/4885MAPK1 4218/4885SMN1; SMN2 101/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 ADRB1 4531/4885MAPK1 4218/4885SMN1; SMN2 101/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 ADRB1 4531/4885MAPK1 4218/4885SMN1; SMN2 101/4885
US-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADRB1 3728/4885MAPK1 4532/4885SMN1; SMN2 2246/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADRB1 3728/4885MAPK1 4532/4885SMN1; SMN2 2246/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADRB1 3728/4885MAPK1 4532/4885SMN1; SMN2 2246/4885
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 ADRB1 4531/4885MAPK1 4218/4885SMN1; SMN2 101/4885
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 ADRB1 4531/4885MAPK1 4218/4885SMN1; SMN2 101/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ADRB1 3728/4885MAPK1 4532/4885SMN1; SMN2 2246/4885

“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.