SCHEMBL6448990

SCHEMBL6448990

CCCc1nc2c(C)cc(Br)cc2n1CCOS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ AGTR1 P30556 7/20 0.33
▸ AGTR2 P50052 4/20 0.33
▸ PPARG P37231 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ABCC3 O15438 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ACE P12821 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
SCHEMBL6453074 0.83 AGTR1 (0.43) HPGDSMN1; SMN2PPARAAGTR1AGTR2
SCHEMBL6454862 0.79 AGTR1 (0.38) RORCAGTR1AGTR2PPARGKDM4E
SCHEMBL6450132 0.74 KDM4E (0.40) HPGDSMN1; SMN2AGTR1AGTR2KDM4E
SCHEMBL25420820 0.68 CYP1A2 (0.36) HPGDSMN1; SMN2PPARGUSP2ALDH1A1
SCHEMBL30461655 0.68 CYP1A2 (0.36) HPGDSMN1; SMN2PPARGUSP2ALDH1A1
SCHEMBL19896418 0.66 SIGMAR1 (0.37) SMN1; SMN2PPARAPPARGKDM4EUSP2
SCHEMBL6451041 0.64 AGTR1 (0.46) AGTR1AGTR2PPARGKDM4EABCC3
SCHEMBL4795198 0.63 TLR7 (0.33) HPGDSMN1; SMN2
SCHEMBL23633170 0.63 RAB9A (0.39) SMN1; SMN2PPARGUSP2ALDH1A1CYP3A4
SCHEMBL17433479 0.61 MTNR1A (0.38) SMN1; SMN2PPARAPPARGALDH1A1HTR2A

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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof BETHESDA PHARMACEUTICALS, INC. 2005-01-27 — — US disclosed
WO-2004082621-A2 NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BETHESDA PHARMACEUTICALS, INC. (US) 2004-09-30 — — WO 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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof PPARG, PPARD, PPARA HPGD 1290/4885SMN1; SMN2 4764/4885RORC 77/4885

“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.

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