SCHEMBL3617992

SCHEMBL3617992

Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1SSc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AR P10275 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H2 P55055 8/20 0.40
NR1H3 Q13133 8/20 0.40
MLYCD O95822 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
G6PD P11413 1/20 0.37
IDE P14735 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
APOBEC3G Q9HC16 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL4187761 0.86 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL4609823 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL11371728 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL13974786 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL7101194 0.77 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL2080757 0.76 AR (0.50) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL3624298 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL7102669 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL11245521 0.76 AR (0.46) SMN1; SMN2MEN1KMT2AARALOX15
SCHEMBL2754718 0.73 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AARALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB SMN1; SMN2 4731/4885MEN1 3861/4885KMT2A 492/4885

“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.