SCHEMBL2200877

SCHEMBL2200877

O=C(NS(=O)(=O)c1cccs1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
RORB Q92753 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
PTGER3 P43115 3/20 0.45
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER2 P43116 2/20 0.45
GAA P10253 1/20 0.43
SCN5A Q14524 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
SCHEMBL8692307 0.79 CYP2D6 (0.56) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL28679405 0.78 SCN5A (0.63) KMT2AMEN1RORARORCRORB
SCHEMBL14417207 0.77 CYP2D6 (0.55) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL731549 0.77 CYP2D6 (0.55) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL2655271 0.76 MEN1 (0.49) KMT2AMEN1RORARORCRORB
Urea SCHEMBL8693555 0.76 CYP2D6 (0.53) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL29321252 0.75 MMP1 (0.43) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL3097342 0.75 CYP2D6 (0.45) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL8853840 0.75 CYP2D6 (0.51) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL18112599 0.75 HDAC1 (0.56) KMT2AMEN1CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 KMT2A 84/4885MEN1 4272/4885RORA 443/4885

“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.