SCHEMBL16205115

SCHEMBL16205115

N#Cc1c(NS(N)(=O)=O)cccc1OCC1CCCCN1C(=O)NCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.41
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PAX8 Q06710 1/20 0.36
FKBP1A P62942 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.35
MAPK14 Q16539 1/20 0.35
CSF1R P07333 1/20 0.35
MAPK1 P28482 1/20 0.35
AKT1 P31749 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK2A1 P68400 1/20 0.35
NTRK2 Q16620 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
VNN1 O95497 1/20 0.35

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
SCHEMBL15607210 1.00 HRH3 (0.41) HRH3KCNH2ALDH1A1PAX8FKBP1A
SCHEMBL15607415 0.87 HRH3 (0.44) HRH3KCNH2FKBP1AMEN1KMT2A
SCHEMBL16204992 0.87 HRH3 (0.44) HRH3KCNH2FKBP1AMEN1KMT2A
SCHEMBL15567768 0.87 ALDH1A1 (0.39) HRH3ALDH1A1KMT2A
SCHEMBL28362245 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL19034771 0.83 ALDH1A1 (0.32) ALDH1A1PAX8CSF1RMAPK1AKT1
SCHEMBL15607447 0.82 HRH3 (0.41) HRH3KCNH2ALDH1A1PAX8FKBP1A
SCHEMBL16205057 0.82 HRH3 (0.41) HRH3KCNH2ALDH1A1PAX8FKBP1A
SCHEMBL18224085 0.79 F2RL3 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL15607442 0.79 F2RL3 (0.40) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3593648-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2021-07-14 EP disclosed
EP-3593648-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2021-07-14 EP disclosed
EP-2880031-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2020-06-17 EP disclosed
EP-2880031-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2020-06-17 EP disclosed
CN-104603132-B Sweet taste modifier 弗门尼舍公司 2020-02-21 CN disclosed
US-9745293-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-08-29 US disclosed
US-20170183336-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-06-29 US disclosed
US-9687015-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-06-27 US disclosed
US-20160331013-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2016-11-17 US disclosed
US-9420814-B2 Sweet flavor modifier SENOMYX, INC. (US) 2016-08-23 US disclosed
US-20150374020-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2015-12-31 US disclosed
US-9138013-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-09-22 US disclosed
US-20150031684-A1 SWEET FLAVOR MODIFIER SENOMYX, INC 2015-01-29 US disclosed
US-8877922-B2 Sweet flavor modifier SENOMYX, INC. (US) 2014-11-04 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 (4 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-20150374020-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HRH3 3079/4885KCNH2 1337/4885ALDH1A1 613/4885
US-20150031684-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HRH3 3079/4885KCNH2 1337/4885ALDH1A1 613/4885
US-20170183336-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HRH3 3166/4885KCNH2 1249/4885ALDH1A1 445/4885
US-20160331013-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HRH3 3166/4885KCNH2 1249/4885ALDH1A1 445/4885

“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.