SCHEMBL10105360

SCHEMBL10105360

CCc1cc(C(=O)O)ccc1NC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PLEC Q15149 1/20 0.46
PTGER4 P35408 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
HCAR3 P49019 4/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL3343373 0.83 NEU3 (0.55) HPGDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL11662824 0.80 HPGD (0.51) HPGDALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL27894392 0.80 HCAR3 (0.54) HPGDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL10105362 0.79 CA12 (0.61) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12074983 0.79 HPGD (0.50) HPGDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL27894389 0.78 ALDH1A1 (0.68) HPGDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL16533711 0.78 GRM5 (0.53) HPGDMEN1KMT2ACA2CA9
SCHEMBL2755400 0.77 ALDH1A1 (0.56) HPGDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL22096845 0.75 HPGD (0.46) HPGDSMN1; SMN2KMT2AHTTCYP1A2
Hydrochloric Acid SCHEMBL10354232 0.75 ALDH1A1 (0.54) HPGDALDH1A1SMN1; SMN2KDM4EGAA

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-20120165520-A1 PROCESS FOR THE SYNTHESIS OF PRODRUGS OF OPIOIDS SHIRE LLC 2012-06-28 US disclosed
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 HPGD 94/4885ALDH1A1 225/4885SMN1; SMN2 1164/4885
US-20120165520-A1 PROCESS FOR THE SYNTHESIS OF PRODRUGS OF OPIOIDS OPRM1, OPRK1, OPRD1 HPGD 224/4885ALDH1A1 276/4885SMN1; SMN2 2097/4885

“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.