SCHEMBL13995397

SCHEMBL13995397

C[C@H]1Cc2ccc(S(C)(=O)=O)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.53
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA12 O43570 6/20 0.49
CA7 P43166 6/20 0.49
CA14 Q9ULX7 6/20 0.49
KDM1A O60341 1/20 0.44
CA9 Q16790 3/20 0.43
HTR6 P50406 1/20 0.40
G6PD P11413 1/20 0.38
IDE P14735 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL24065052 1.00 PNMT (0.53) PNMTCA1CA2CA12CA7
SCHEMBL24065230 0.83 CA1 (0.71) PNMTCA1CA2CA12CA7
SCHEMBL15093571 0.81 PNMT (0.40) PNMTKDM1AHTR6
SCHEMBL24065006 0.80 PNMT (0.52) PNMTCA1CA2CA12CA7
SCHEMBL25086361 0.80 PNMT (0.52) PNMTCA1CA2CA12CA7
SCHEMBL12828069 0.79 PNMT (0.51) PNMTCA1CA2CA12CA7
SCHEMBL12828068 0.78 PNMT (0.50) PNMTCA1CA2CA12CA7
SCHEMBL19453942 0.78 PNMT (0.57) PNMT
SCHEMBL24065198 0.75 PNMT (0.48) PNMTCA1CA2CA12CA7
SCHEMBL8688726 0.74 DRD3 (0.62) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
WO-2007065683-A1 ARYL ACETIC ACID AND ESTER DERIVATIVES AND THEIR USES AS ANTIINFLAMMATORY NOVARTIS AG (CH) 2007-06-14 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-20080312229-A1 Organic Compounds DRD4, DRD1, SLC10A6 PNMT 864/4885CA1 3309/4885CA2 1872/4885

“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.