SCHEMBL6351806

SCHEMBL6351806

Cc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.48
NOD1 Q9Y239 3/20 0.48
NOD2 Q9HC29 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 3/20 0.46
REV1 Q9UBZ9 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 2/20 0.44
CNR1 P21554 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
USP14 P54578 1/20 0.44
THRB P10828 1/20 0.43
GLA P06280 1/20 0.41

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
SCHEMBL5746517 0.86 L3MBTL1 (0.52) TNFNOD1SMN1; SMN2LMNAREV1
SCHEMBL6349294 0.86 MAPT (0.52) TNFNOD1SMN1; SMN2LMNAREV1
SCHEMBL5773090 0.85 HSD11B1 (0.53) TNFNOD1SMN1; SMN2LMNAREV1
SCHEMBL5747352 0.84 MAPK1 (0.55) SMN1; SMN2LMNAPOLBMAPT
SCHEMBL5798425 0.83 THRB (0.56) SMN1; SMN2LMNAREV1MAPTTHRB
SCHEMBL5776077 0.82 GFER (0.45) SMN1; SMN2LMNAREV1RAB9AMAPT
SCHEMBL5746692 0.81 TNF (0.54) TNFNOD1NOD2SMN1; SMN2LMNA
SCHEMBL6348660 0.80 LMNA (0.48) LMNACNR1MAPT
SCHEMBL5775668 0.78 MAPT (0.53) SMN1; SMN2LMNARAB9APOLBMAPT
SCHEMBL5749721 0.78 MAPT (0.53) SMN1; SMN2LMNAGAARAB9APOLB

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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD TNF 4742/4885NOD1 2288/4885NOD2 3121/4885

“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.