SCHEMBL17740911

SCHEMBL17740911

CN[C@@H](CO)C(=O)N[C@H]1CC[C@H](Oc2cccc3nc(C)c(C(=O)O)c(N)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.38
▸ LDHA P00338 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ TNKS O95271 3/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ PARP2 Q9UGN5 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ AR P10275 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NOTCH1 P46531 1/20 0.30
▸ NOTCH3 Q9UM47 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 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
SCHEMBL17740918 0.89 SMYD3 (0.38) SMYD3LDHAEPHX2MEN1KMT2A
SCHEMBL621055 0.88 SMYD3 (0.39) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL10260443 0.88 SMYD3 (0.39) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL17740909 0.87 SMYD3 (0.37) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL17740893 0.86 SMYD3 (0.46) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL17740919 0.85 SMYD3 (0.39) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL17740878 0.85 SMYD3 (0.45) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL17740879 0.84 SMYD3 (0.48) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL17740887 0.83 SMYD3 (0.45) SMYD3LDHAEPHX2TNKSPARP1
SCHEMBL17740901 0.82 LDHA (0.45) SMYD3LDHAEPHX2TNKSPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 — — US disclosed
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 — — US disclosed
US-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 — — US disclosed
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS FIRMENICH INCORPORATED 2016-06-30 — — US disclosed
WO-2016073251-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS SENOMYX, INC. (US) 2016-05-12 — — 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 (3 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-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885LDHA 2337/4885EPHX2 4445/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 SMYD3 297/4885LDHA 1679/4885EPHX2 4039/4885
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885LDHA 2337/4885EPHX2 4445/4885

“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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