SCHEMBL12410568

SCHEMBL12410568

CSc1cc(F)cc(SC)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.32
MAPK1 P28482 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
AXL P30530 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL320467 0.94 CA12 (0.38) CA12CA1CA9ALDH1A1L3MBTL1
SCHEMBL12954435 0.84 ACHE (0.37)
SCHEMBL2866234 0.83 ALDH1A1 (0.36) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL15279054 0.82 RAPGEF4 (0.36)
SCHEMBL15122557 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL30056796 0.82
SCHEMBL879323 0.82 CHRNB4 (0.32)
SCHEMBL16954113 0.82
SCHEMBL21752914 0.82
SCHEMBL30016337 0.82 CHRNB4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334661-B1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS UBE INDUSTRIES (JP) 2017-08-30 EP disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-8653302-B2 Processes for preparing poly(pentafluorosulfanyl)aromatic compounds UBE INDUSTRIES, LTD. (JP) 2014-02-18 US disclosed
US-8653302-B2 Processes for preparing poly(pentafluorosulfanyl)aromatic compounds UBE INDUSTRIES, LTD. (JP) 2014-02-18 US disclosed
US-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds UBE INDUSTRIES, LTD. (JP) 2011-07-07 US disclosed
US-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds UBE INDUSTRIES, LTD. (JP) 2011-07-07 US disclosed
WO-2010033930-A1 PROCESSES FOR PREPARING POLY(PENTAFLUOROSULFANYL)AROMATIC COMPOUNDS IM&T RESEARCH, INC. (US) 2010-03-25 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 (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-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CA12 4549/4885CA1 4605/4885CA9 4741/4885
US-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds PFAS, PUF60, FES CA12 3912/4885CA1 3360/4885CA9 2867/4885

“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.