SCHEMBL2512652

SCHEMBL2512652

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)c1ccc(OC)c(OCCCO)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.38
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 1/20 0.34
DHFR P00374 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STING1 Q86WV6 2/20 0.33
F10 P00742 1/20 0.33
SCD O00767 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
SCHEMBL2511732 0.97 SMPD1 (0.35) SMPD1MAPTSMN1; SMN2
SCHEMBL2513085 0.96 SMPD1 (0.37) SMPD1TP53MAPTSMN1; SMN2F10
SCHEMBL2511923 0.93 SCD (0.34) SMPD1MAPTSMN1; SMN2SCD
SCHEMBL2517583 0.93 MAPT (0.38) MAPTSMN1; SMN2
SCHEMBL2511915 0.89 TLR7 (0.34) PDE4DMAPTSMN1; SMN2
SCHEMBL627405 0.87 SMPD1 (0.38) SMPD1PDE4APDE4BPDE4CPDE4D
SCHEMBL2510945 0.84 SMN1; SMN2 (0.35) MAPTSMN1; SMN2
SCHEMBL627249 0.84 MEN1 (0.37) SMPD1MAPTSMN1; SMN2SCD
SCHEMBL2515070 0.84 KDM4E (0.36) TP53MAPTSMN1; SMN2
SCHEMBL2512730 0.84 MAPT (0.33) TP53MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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 (1 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SMPD1 422/4885PDE4A 850/4885PDE4B 902/4885

“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.