SCHEMBL963605

SCHEMBL963605

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CN(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
LMNA P02545 1/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
PHGDH O43175 8/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL963820 0.94 TRPM8 (0.38) TRPM8SMN1; SMN2NPC1GALR3LMNA
SCHEMBL963628 0.91 TAS2R14 (0.40) TRPM8SMN1; SMN2LMNAKEAP1NFE2L2
SCHEMBL963395 0.83 KMT2A (0.37) TRPM8SMN1; SMN2PHGDHMEN1KMT2A
SCHEMBL966630 0.83 PTGDR2 (0.34) TRPM8PHGDHPPARG
SCHEMBL967888 0.80 MAPK8 (0.34) TRPM8SMN1; SMN2LMNANR2F2HTT
SCHEMBL966982 0.80 PHGDH (0.34) SMN1; SMN2LMNAHTTALDH1A1PHGDH
SCHEMBL966868 0.79 SLC6A2 (0.35) TRPM8SMN1; SMN2LMNANR2F2HTT
SCHEMBL961862 0.79 PTGDR2 (0.48)
SCHEMBL967867 0.78 PHGDH (0.35) LMNAPHGDHMEN1KMT2A
SCHEMBL965057 0.78 PTGDR2 (0.34) LMNAPHGDHPPARGPPARD

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TRPM8 1651/4885SMN1; SMN2 4710/4885NPC1 1538/4885

“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.