SCHEMBL3918747

SCHEMBL3918747

NC(=S)NCCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
MPO P05164 3/20 0.50
CNR1 P21554 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
HIF1A Q16665 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.44
PAX8 Q06710 1/20 0.44
KLF5 Q13887 1/20 0.44
AOC3 Q16853 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL30496749 0.82 TAAR1 (0.55) TAAR1MPOCNR1TRPV1MEN1
SCHEMBL3916714 0.82 TAAR1 (0.55) TAAR1MPOCNR1TRPV1MEN1
SCHEMBL5532672 0.81 KMT2A (0.55) TAAR1MPOMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28482472 0.81 TAAR1 (0.53) TAAR1MPOCNR1TRPV1MEN1
SCHEMBL28078848 0.80 MPO (0.55) TAAR1MPOIDO1HIF1AKDM4E
SCHEMBL7226795 0.79 MAPT (0.50) TAAR1MEN1KMT2AALDH1A1LMNA
SCHEMBL17198837 0.77 TAAR1 (0.49) TAAR1MPOCNR1TRPV1MEN1
SCHEMBL14241867 0.76 TAAR1 (0.56) TAAR1CNR1TRPV1RAB9A
SCHEMBL7866223 0.76 CNR1 (0.54) TAAR1MPOCNR1TRPV1MEN1
SCHEMBL6686511 0.76 MTNR1A (0.71) TRPV1HPGD

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
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP 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-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 TAAR1 446/4885MPO 4810/4885CNR1 381/4885

“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.