SCHEMBL330298

SCHEMBL330298

CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
RXFP1 Q9HBX9 2/20 0.54
KDM4E B2RXH2 2/20 0.54
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
DHODH Q02127 11/20 0.54
GSTO1 P78417 1/20 0.53
ADORA3 P0DMS8 1/20 0.51
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL330272 0.91 KMT2A (0.61) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL330131 0.88 MEN1 (0.67) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL330244 0.84 DHODH (0.64) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL331594 0.83 DHODH (0.66) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL329799 0.82 MEN1 (0.64) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL330277 0.82 MEN1 (0.59) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL331403 0.79 MEN1 (0.60) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13944335 0.77 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3580925 0.76 KMT2A (0.78) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1818476 0.75 CA1 (0.64) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP 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 (5 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4495/4885KMT2A 4486/4885CYP1A2 1547/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885CYP1A2 1583/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885CYP1A2 1583/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885KMT2A 4531/4885CYP1A2 1583/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MEN1 4661/4885KMT2A 4095/4885CYP1A2 1483/4885

“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.