SCHEMBL2297595

SCHEMBL2297595

CCNC(=O)OC.c1scc2c1OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2298570 0.83 HTT (0.38) SMN1; SMN2ALDH1A1KDM4EHTTGAA
SCHEMBL2298830 0.83 EPHX1 (0.59) ALDH1A1HPGD
SCHEMBL2298572 0.81 BAZ2B (0.45) SMN1; SMN2ALDH1A1KDM4EHTTBAZ2B
Acetic Acid Methyl Ester SCHEMBL28914604 0.79 CYP1A2 (0.43) SMN1; SMN2ALDH1A1KDM4EGAABAZ2B
Alcohol SCHEMBL360831 0.74 HTT (0.39) SMN1; SMN2ALDH1A1KDM4EHTTGAA
Methoxymethane SCHEMBL28298291 0.74 ITGB2 (0.38) SMN1; SMN2ALDH1A1KDM4EHTTGAA
SCHEMBL28914636 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHTTGAA
Bicarbonate SCHEMBL6623191 0.72 BAZ2B (0.39) SMN1; SMN2KDM4EHTTGAABAZ2B
SCHEMBL13585921 0.72 KDM4E (0.37) SMN1; SMN2ALDH1A1KDM4EHTTGAA
SCHEMBL28293843 0.72 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4EHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994345-B2 Process for the purification of thiophenes H. C. STARCK GMBH (DE) 2011-08-09 US disclosed
US-20090318710-A1 PROCESS FOR THE PURIFICATION OF THIOPHENES H. C. STARCK GMBH (DE) 2009-12-24 US disclosed
US-20050065352-A1 Process for the purification of thiophenes H.C. STARCK GMBH (DE) 2005-03-24 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 (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-20090318710-A1 PROCESS FOR THE PURIFICATION OF THIOPHENES C1S, THOP1, GTF2E2 SMN1; SMN2 4525/4885ALDH1A1 1089/4885KDM4E 1865/4885
US-20050065352-A1 Process for the purification of thiophenes C1S, THOP1, GTF2E2 SMN1; SMN2 4525/4885ALDH1A1 1089/4885KDM4E 1865/4885

“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.