SCHEMBL15566899

SCHEMBL15566899

CC(C)(C)[C@@]1(COc2cccc([N+](=O)[O-])c2C#N)CCCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ KMT2A Q03164 7/20 0.37
▸ ATM Q13315 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 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
SCHEMBL15566902 1.00 CTDSP1 (0.39) CTDSP1KMT2AATMKDM4EALDH1A1
SCHEMBL621976 0.97 KMT2A (0.40) CTDSP1KMT2AATMKDM4EALDH1A1
SCHEMBL621974 0.97 KMT2A (0.40) CTDSP1KMT2AATMKDM4EALDH1A1
SCHEMBL16205111 0.85 SMN1; SMN2 (0.33) KMT2AALDH1A1L3MBTL1MEN1HPGD
SCHEMBL16205109 0.85 SMN1; SMN2 (0.33) KMT2AALDH1A1L3MBTL1MEN1HPGD
SCHEMBL16204938 0.79 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL16204937 0.79 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL17363083 0.77 CTDSP1 (0.41) CTDSP1KMT2AATMKDM4EALDH1A1
SCHEMBL17363042 0.77 CTDSP1 (0.42) CTDSP1KMT2AATMKDM4EALDH1A1
SCHEMBL17363078 0.76 CTDSP1 (0.39) CTDSP1KMT2AATMKDM4EALDH1A1

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 13 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
EP-2880031-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2015-06-10 — — EP 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
WO-2014025706-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-02-13 — — WO 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 CTDSP1 4276/4885KMT2A 2021/4885ATM 2323/4885
US-20150031684-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CTDSP1 4276/4885KMT2A 2021/4885ATM 2323/4885
US-20170183336-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CTDSP1 4280/4885KMT2A 2044/4885ATM 2033/4885
US-20160331013-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CTDSP1 4280/4885KMT2A 2044/4885ATM 2033/4885

“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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