SCHEMBL4957282

SCHEMBL4957282

CCCCCCCCCCCCCCCCS(=O)(=O)OS(=O)(=O)CCCCCCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
CA2 P00918 14/20 0.48
CA1 P00915 8/20 0.43
CA9 Q16790 7/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL2383854 1.00 FAAH (0.54) FAAHCA2CA1CA9CA12
SCHEMBL1239007 1.00 FAAH (0.54) FAAHCA2CA1CA9CA12
SCHEMBL575976 1.00 FAAH (0.54) FAAHCA2CA1CA9CA12
SCHEMBL29800472 1.00 FAAH (0.54) FAAHCA2CA1CA9CA12
SCHEMBL2329989 1.00 FAAH (0.54) FAAHCA2CA1CA9CA12
Butane SCHEMBL2384362 0.97 FAAH (0.52) FAAHCA2CA1CA9CA12
Butane SCHEMBL2384367 0.97 FAAH (0.52) FAAHCA2CA1CA9CA12
SCHEMBL27460969 0.97 FAAH (0.52) FAAHCA2CA1CA9CA12
SCHEMBL1341402 0.97 FAAH (0.50) FAAHCA2CA1CA9CA12
Butane SCHEMBL2384418 0.95 FAAH (0.48) FAAHCA2CA1CA9CA12

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-20130164216-A1 BLADDER CANCER TUMOR MARKER, ANTIBODY AND USE THEREOF INSTITUTE OF BIOPHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-06-27 US claimed
US-9073995-B2 Bladder cancer tumor marker, antibody and use thereof INSTITUTE OF BIOPHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2015-07-07 US disclosed
US-20130164216-A1 BLADDER CANCER TUMOR MARKER, ANTIBODY AND USE THEREOF INSTITUTE OF BIOPHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-06-27 US disclosed
US-20080227689-A1 Dampening Humoral and Innate Immunity by Inhibition of Ppgalnact-1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 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-20130164216-A1 BLADDER CANCER TUMOR MARKER, ANTIBODY AND USE THEREOF B4GALT1, GALNT3, CSGALNACT1 FAAH 3365/4885CA2 587/4885CA1 580/4885

“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.