SCHEMBL5839020

SCHEMBL5839020

NCCNc1cccc2c(S(=O)(=O)O)c(S(=O)(=O)O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HSD17B10 Q99714 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.49
IDO1 P14902 3/20 0.48
HTR6 P50406 3/20 0.41
FERMT2 Q96AC1 1/20 0.39
TTR P02766 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL29349851 0.87 CA12 (0.54) CA12CA4CA7CA9CA14
SCHEMBL6254 0.87 CA12 (0.54) CA12CA4CA7CA9CA14
SCHEMBL3384278 0.85 CA12 (0.53) CA12CA4CA7CA9CA14
SCHEMBL3384286 0.85 CA12 (0.53) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL14833086 0.85 TSHR (0.55) CA12CA4CA7CA9CA14
Water SCHEMBL29222618 0.84 CA12 (0.51) CA12CA4CA7CA9CA14
Water SCHEMBL30987561 0.84 CA12 (0.51) CA12CA4CA7CA9CA14
SCHEMBL26669966 0.80 CA12 (0.42) CA12CA4CA7CA9CA14
Isothiocyanate SCHEMBL8518639 0.80 CA12 (0.47) CA12CA4CA7CA9CA14
SCHEMBL3009308 0.76 CASP6 (0.59) CA12CA4CA7CA9CA14

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-7122627-B2 Lactam inhibitors of Hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
US-20040171556-A1 Methods for inhibiting proteasome BRISTOL-MYERS SQUIBB COMPANY 2004-09-02 US disclosed
WO-2004064755-A2 METHODS FOR INHIBITING PROTEASOME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-05 WO disclosed
US-20030008828-A1 Diagnostic kits; for therapy of viral infection; as assat standard or reagent BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 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 (2 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-20030008828-A1 Diagnostic kits; for therapy of viral infection; as assat standard or reagent PRSS3, PRSS1, PREP CA12 381/4885CA4 1495/4885CA7 596/4885
US-20040171556-A1 Methods for inhibiting proteasome PSMB1, PSMB11, PSMG3 CA12 4336/4885CA4 4367/4885CA7 4224/4885

“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.