SCHEMBL7972833

SCHEMBL7972833

CC(C)c1ccc(N2CCCCS2(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA6 P23280 1/20 0.56
OPRK1 P41145 1/20 0.56
TP53 P04637 1/20 0.54
CA12 O43570 1/20 0.46
AKR1C3 P42330 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43

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
SCHEMBL7969768 0.95 CA1 (0.50) CA1CA2CA7CA9CA6
SCHEMBL10022350 0.81 POLB (0.58) CA1CA2CA7CA9CA6
SCHEMBL1030597 0.81 CA1 (0.66) CA1CA2CA7CA9CA6
SCHEMBL8358594 0.81 CA1 (0.61) CA1CA2CA7CA9CA6
Hydrochloric Acid SCHEMBL3544398 0.79 CA1 (0.64) CA1CA2CA7CA9CA6
SCHEMBL15683644 0.79 CA1 (0.59) CA1CA2CA7CA9CA6
SCHEMBL24720999 0.78 PHGDH (0.47) CA1CA2CA7CA9CA6
SCHEMBL25845301 0.77 CA1 (0.61) CA1CA2CA7CA9CA6
SCHEMBL31195399 0.77 CA1 (0.61) CA1CA2CA7CA9CA6
SCHEMBL8262169 0.77 CA1 (0.61) CA1CA2CA7CA9CA6

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
WO-2009144450-A1 TETRAHYDROFURO [3, 2-B] PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2009-12-03 WO disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 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-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI CA1 280/4885CA2 77/4885CA7 164/4885

“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.