SCHEMBL13499291

SCHEMBL13499291

CS(=O)(=O)OCCn1ncn(-c2ccc(Br)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.43
PPARD Q03181 10/20 0.43
PPARG P37231 7/20 0.43
HSD17B3 P37058 1/20 0.40
ROCK2 O75116 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL16196788 0.84 PPARD (0.47) PPARAPPARDPPARGHSD17B3ROCK2
SCHEMBL13499383 0.80 MAPT (0.54) PPARAPPARDPPARGHSD17B3SMN1; SMN2
SCHEMBL27682431 0.80 PPARD (0.48) PPARAPPARDPPARGHSD17B3
SCHEMBL26499325 0.79 PPARD (0.46) PPARAPPARDPPARGHSD17B3ROCK2
SCHEMBL13499426 0.78 NPC1 (0.35) ROCK2NPC1RAB9ASMN1; SMN2MAOA
SCHEMBL13499294 0.77 RXFP1 (0.39) ROCK2NPC1RAB9ASMN1; SMN2MAOA
SCHEMBL13499289 0.76 PPARD (0.46) PPARAPPARDPPARGHSD17B3ROCK2
SCHEMBL13499303 0.76 RXFP1 (0.35) MAOAMAOBRXFP1
SCHEMBL16196902 0.76 PPARD (0.48) PPARAPPARDPPARGHSD17B3ROCK2
SCHEMBL16196818 0.75 PPARD (0.48) PPARAPPARDPPARGHSD17B3ROCK2

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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 PPARA 1276/4885PPARD 697/4885PPARG 1219/4885

“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.