SCHEMBL7376396

SCHEMBL7376396

CC(C)(C)OC(=O)c1cc(Cl)cc2[nH]c(CCl)nc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.42
CACNA1C Q13936 2/20 0.42
CACNA1H O95180 1/20 0.42
PRKCZ Q05513 2/20 0.39
CACNA1G O43497 1/20 0.39
DHODH Q02127 2/20 0.38
PARP1 P09874 2/20 0.35
PTGES O14684 2/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL7459692 0.88 CACNA1B (0.42) CACNA1BCACNA1CCACNA1HCACNA1GDHODH
SCHEMBL4033463 0.81 PARP1 (0.43) PARP1
SCHEMBL7378251 0.76 CACNA1B (0.38) CACNA1BCACNA1CCACNA1HCACNA1G
SCHEMBL30139028 0.72 PTGES (0.40) DHODHPTGES
SCHEMBL7154842 0.72 PARP1 (0.42) PARP1
SCHEMBL22935779 0.71 NPSR1 (0.48)
SCHEMBL6951344 0.68 PARP1 (0.43) PARP1
SCHEMBL7145208 0.68 BCHE (0.38)
SCHEMBL6945584 0.68 ALOX15 (0.48) PRKCZDHODHPTGES
SCHEMBL25238985 0.68 MAPT (0.42) PRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 CACNA1B 2725/4885CACNA1C 3051/4885CACNA1H 2553/4885

“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.