SCHEMBL476406

SCHEMBL476406

O=C(O)c1sc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OCCCOC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OXTR P30559 1/20 0.34
P2RX3 P56373 5/20 0.34
KDM4C Q9H3R0 1/20 0.34
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
RORC P51449 1/20 0.31
PTPN1 P18031 1/20 0.31
TGFBR1 P36897 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX5AP P20292 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2682498 0.91 KMT2A (0.38) MEN1KMT2AOXTRP2RX3KDM4C
SCHEMBL1850707 0.80 MEN1 (0.53) MEN1KMT2AOXTRKDM4CRORC
SCHEMBL476284 0.78 CNR1 (0.36) P2RX3
SCHEMBL476417 0.76 CNR1 (0.36) MEN1KMT2A
SCHEMBL2158729 0.74 MEN1 (0.46) MEN1KMT2AOXTRP2RX3KDM4C
SCHEMBL476239 0.74 CNR1 (0.41)
SCHEMBL476241 0.73 TP53 (0.41) MEN1KMT2APTPN1NPC1RAB9A
SCHEMBL1848429 0.69 MEN1 (0.51) MEN1KMT2ARORC
SCHEMBL8302809 0.69 KMT2A (0.51) MEN1KMT2AKDM4CCCNA2CDK2
SCHEMBL9335071 0.66 KMT2A (0.61) MEN1KMT2AKDM4CNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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 (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-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, HCRTR1, NR3C1 MEN1 1475/4885KMT2A 1992/4885OXTR 33/4885

“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.