SCHEMBL18909501

SCHEMBL18909501

COc1cc(-c2ccc(C3SC(c4cc(-c5cccs5)cc(OC)c4O)NC3C(=O)O)s2)cc(C2NCCS2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.42
SMPD3 Q9NY59 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TNFRSF1A P19438 1/20 0.30

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
SCHEMBL12767262 0.82 ERN1 (0.60) ERN1SMPD3MEN1ALDH1A1KMT2A
SCHEMBL12767258 0.73 ERN1 (0.49) ERN1SMPD3MEN1ALDH1A1KMT2A
SCHEMBL12767277 0.68 ERN1 (0.45) ERN1SMPD3MEN1ALDH1A1KMT2A
SCHEMBL12767273 0.62 ERN1 (1.00) ERN1ALDH1A1MAPTGAAALOX15
SCHEMBL12470882 0.60 ERN1 (0.68) ERN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL2083948 0.58 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2
SCHEMBL12766763 0.58 ERN1 (1.00) ERN1
SCHEMBL2082412 0.55 TSHR (0.57) ERN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL31529055 0.55 TSHR (0.57) ERN1MEN1ALDH1A1KMT2AMAPT
SCHEMBL31529056 0.55 TSHR (0.57) ERN1MEN1ALDH1A1KMT2AMAPT

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-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885SMPD3 3189/4885MEN1 3492/4885

“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.