SCHEMBL20023012

SCHEMBL20023012

O=C(COc1ccc(Cl)c(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.53
▸ PPARG P37231 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ ADAMTS5 Q9UNA0 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ PRKX P51817 1/20 0.43

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
SCHEMBL20382458 0.87 S1PR1 (0.47) MRGPRX4ATMNPC1RAB9AMEN1
SCHEMBL20023010 0.85 ADAMTS5 (0.52) MRGPRX4ADAMTS5NPC1RAB9AMEN1
SCHEMBL20022957 0.82 ALOX15 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7641215 0.79 NPSR1 (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20023046 0.78 RXRA (0.53) MRGPRX4NPC1RAB9AKMT2AKDM4E
SCHEMBL118785 0.74 MCL1 (0.72) MRGPRX4KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29540672 0.74 MCL1 (0.72) MRGPRX4KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL28668952 0.74 KMT2A (0.68) ADAMTS5RAB9AMEN1KMT2AALDH1A1
SCHEMBL9368173 0.74 MRGPRX4 (0.57) MRGPRX4PPARGPPARAADAMTS5NPC1
Hydrochloric Acid SCHEMBL8437530 0.73 MCL1 (0.70) MRGPRX4KMT2ASMN1; SMN2KDM4ELMNA

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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 — — US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 — — 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA MRGPRX4 4103/4885PPARG 1129/4885PPARA 1389/4885

“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.

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