SCHEMBL440864

SCHEMBL440864

OCc1cc(I)c(OCC(F)(F)F)c(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.33
S1PR4 O95977 2/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9931561 0.82 RORC (0.33) RORCS1PR4ALDH1A1MAPTKDM4E
SCHEMBL411440 0.80 BPTF (0.37) S1PR4ALDH1A1KDM4ETHRB
SCHEMBL463741 0.77 RORC (0.39) RORCS1PR4ALDH1A1MAPTKDM4E
SCHEMBL844045 0.76 HSD17B10 (0.35) S1PR4MEN1KMT2AHSD17B10
SCHEMBL16517376 0.76 KDM4E (0.36) S1PR4ALDH1A1MAPTKDM4EKMT2A
SCHEMBL12467256 0.75 RORC (0.32) RORC
SCHEMBL16533544 0.75 S1PR4 (0.32) S1PR4ALDH1A1MAPTKDM4EMEN1
SCHEMBL843578 0.75 KMT2A (0.33) S1PR4MEN1KMT2A
SCHEMBL412065 0.75 RHEB (0.42) S1PR4CNR2THRB
SCHEMBL19944962 0.74 S1PR4 (0.32) S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (2 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR RORC 3008/4885S1PR4 1405/4885ALDH1A1 569/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR RORC 3008/4885S1PR4 1405/4885ALDH1A1 569/4885

“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.