SCHEMBL9976538

SCHEMBL9976538

NCc1cc(-c2ccc(OC=O)s2)sc1-c1ccc(-c2sc(-c3ccc(C(=O)O)s3)cc2CN)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
HPGDS O60760 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR4A2 P43354 1/20 0.32
RPS6KB2 Q9UBS0 1/20 0.32

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
SCHEMBL9976543 0.87 KDM4E (0.42) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL9976545 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL14646206 0.73 POLB (0.41) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL14646131 0.73 POLB (0.41) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL9976532 0.73 POLB (0.41) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL14645296 0.73 POLB (0.41) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL14646273 0.73 POLB (0.41) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL14645302 0.72 POLB (0.41) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL14645501 0.72 POLB (0.41) ALDH1A1KDM4EGAAPOLBRAB9A
SCHEMBL12542106 0.72 DAO (0.46) ERN1ALDH1A1KDM4EGAAPOLB

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-8710246-B2 Substituted thiophene pentamers BIOCHROMIX NEWCO AB (SE) 2014-04-29 US disclosed
US-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY BIOCHROMIX PHARMA AB 2012-06-21 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-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY HSPE1, TTR, HTT ERN1 1802/4885ALDH1A1 3577/4885KDM4E 3846/4885

“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.