SCHEMBL9944161

SCHEMBL9944161

CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC3CCCC3)c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
PDE4A P27815 4/20 0.50
PDE4B Q07343 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
CCR2 P41597 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
EPHX1 P07099 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL9944187 0.97 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL9944182 0.94 PDE4A (0.54) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL9944176 0.93 PDE4D (0.53) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL9944196 0.93 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL9944162 0.92 PDE4A (0.57) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL9944227 0.92 PDE4A (0.51) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL1457884 0.89 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL1458062 0.89 PDE4A (0.51) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL9944192 0.88 PDE5A (0.46) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL9944232 0.88 PDE4D (0.54) TAS1R3TAS1R1TAS1R2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TAS1R3 1123/4885TAS1R1 693/4885TAS1R2 808/4885

“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.