SCHEMBL6403036

SCHEMBL6403036

CC(=O)c1cccc(C(N(CCCc2ccccc2)C(=O)N(CCC(C)C)C(=O)OCc2ccccc2)S(N)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.37
F10 P00742 1/20 0.35
MAOB P27338 1/20 0.35
GLI1 P08151 2/20 0.35
GLI2 P10070 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
CASR P41180 1/20 0.33
ALOX5 P09917 1/20 0.33
CCR5 P51681 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
BCHE P06276 1/20 0.33
BACE1 P56817 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 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
SCHEMBL6401744 0.90 LMNA (0.38) CACNA1HOPRM1OPRD1OPRK1ALOX5
SCHEMBL6407163 0.84 CA1 (0.42) ALOX5CA1CA2
SCHEMBL6409442 0.83 SLC7A5 (0.39) F10MAOBGLI1GLI2CASR
SCHEMBL6403038 0.77 CACNA1H (0.41) CACNA1HMAOBCASRRAB9A
SCHEMBL6401370 0.75 L3MBTL1 (0.40) ALOX5PTGDR2
SCHEMBL6408723 0.74 CA1 (0.41) ALOX5CA1CA2
SCHEMBL6404802 0.71 CASR (0.38) CASRPTGDR2BACE1
SCHEMBL7790158 0.71 CCR6 (0.42) OPRM1OPRD1OPRK1BCHE
SCHEMBL6401745 0.70 LMNA (0.45) CACNA1HOPRM1OPRD1OPRK1BACE1
SCHEMBL6401980 0.70 LMNA (0.45) CACNA1HOPRM1OPRD1OPRK1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 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-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 CACNA1H 2723/4885F10 3300/4885MAOB 1449/4885

“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.