SCHEMBL831810

SCHEMBL831810

O=c1sc2ccc(OC(F)(F)F)cc2cc1S(=O)(=O)c1cc2cc(OC(F)(F)F)ccc2sc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SCN4A P35499 2/20 0.40
SCN9A Q15858 2/20 0.40
GAA P10253 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
SLC6A2 P23975 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL829683 0.81 CA2 (0.57) NPC1RAB9AGAAPKMCA2
SCHEMBL5429193 0.81 RXFP1 (0.41) GAALMNATP53PKMCA2
SCHEMBL1367894 0.77 HDAC6 (0.45) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL18002952 0.73 NPC1 (0.47) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL5538026 0.72 NPC1 (0.46) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL830992 0.72 CA2 (0.40) NPC1RAB9AGAALMNACYP3A4
SCHEMBL830440 0.72 CA2 (0.33) CA2
SCHEMBL831449 0.72 CA2 (0.54) CA2DYRK1ACLK1
SCHEMBL831505 0.72 HSP90AA1 (0.44) RAB9ALMNAPKMCA2DYRK1A
SCHEMBL829598 0.72 CA2 (0.40) CYP3A4ALOX15SMN1; SMN2MAPK1CA2

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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US claimed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP claimed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 WO claimed
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 NPC1 2964/4885RAB9A 1681/4885SCN4A 1326/4885

“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.