SCHEMBL19901690

SCHEMBL19901690

COc1ccc(C(=O)NCCOc2cccc3nc(C)c(C(=O)O)c(N)c23)cc1OCCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.48
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 2/20 0.42
MCHR1 Q99705 1/20 0.42
CNR2 P34972 2/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL19901676 0.97 PDE4A (0.45) SMPD1PDE4APDE4BPDE4CPDE4D
SCHEMBL19901697 0.96 PDE4A (0.48) SMPD1PDE4APDE4BPDE4CPDE4D
SCHEMBL19901700 0.93 PDE4A (0.46) SMPD1PDE4APDE4BPDE4CPDE4D
SCHEMBL21281440 0.89 MARS1 (0.43) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL19901689 0.88 SMPD1 (0.38) SMPD1PDE4APDE4BPDE4CPDE4D
SCHEMBL619358 0.87 POLB (0.39) SMPD1PDE4DTP53POLBNPC1
SCHEMBL618525 0.87 POLB (0.39) SMPD1PDE4DTP53POLBNPC1
SCHEMBL627405 0.87 SMPD1 (0.38) SMPD1PDE4APDE4BPDE4CPDE4D
SCHEMBL19901675 0.85 MEN1 (0.37) SMPD1POLBNPC1RAB9AKMT2A
SCHEMBL28451329 0.84 HPGD (0.48) NPC1RAB9AKMT2AMCHR1SMN1; SMN2

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 4 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
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

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-10244779-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 SMPD1 1862/4885PDE4A 3476/4885PDE4B 3382/4885
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 SMPD1 1862/4885PDE4A 3476/4885PDE4B 3382/4885
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 SMPD1 1862/4885PDE4A 3476/4885PDE4B 3382/4885

“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.