SCHEMBL16205111

SCHEMBL16205111

CC(C)(C)C1(COc2cccc(N)c2C#N)CCCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ AR P10275 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL16205109 1.00 SMN1; SMN2 (0.33) SMN1; SMN2MAPK8MAPK9ARALDH1A1
SCHEMBL15566902 0.85 CTDSP1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1GAAMEN1
SCHEMBL15566899 0.85 CTDSP1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1GAAMEN1
SCHEMBL16204938 0.84 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL16204937 0.84 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL621974 0.82 KMT2A (0.40) SMN1; SMN2ALDH1A1L3MBTL1GAAMEN1
SCHEMBL621976 0.82 KMT2A (0.40) SMN1; SMN2ALDH1A1L3MBTL1GAAMEN1
SCHEMBL17363074 0.76 MRGPRX4 (0.31) MAPK8MAPK9MRGPRX4
SCHEMBL15972526 0.75 SMN1; SMN2 (0.33) SMN1; SMN2MAPK8MAPK9ALDH1A1GAA
SCHEMBL17363040 0.75 TP53 (0.31) MRGPRX4

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 11 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-2880031-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2020-06-17 — — EP 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 SMN1; SMN2 3389/4885MAPK8 4436/4885MAPK9 4017/4885
US-20150031684-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SMN1; SMN2 3389/4885MAPK8 4436/4885MAPK9 4017/4885
US-20170183336-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SMN1; SMN2 3349/4885MAPK8 4403/4885MAPK9 4042/4885
US-20160331013-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SMN1; SMN2 3349/4885MAPK8 4403/4885MAPK9 4042/4885

“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.

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