SCHEMBL20022981

SCHEMBL20022981

O=C(NCc1ccc(Cl)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.59
PLAAT5 Q96KN8 1/20 0.59
PLAAT2 Q9NWW9 1/20 0.59
PLAAT4 Q9UL19 1/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 6/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL20022955 0.91 HTT (0.55) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL20022977 0.85 SMN1; SMN2 (0.62) MEN1KMT2AALDH1A1CYP2C19L3MBTL1
SCHEMBL20022975 0.85 L3MBTL1 (0.57) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL3979997 0.85 NR1H4 (0.52) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL20022962 0.85 LMNA (0.58) KMT2AALDH1A1CYP2C19L3MBTL1CYP1A2
SCHEMBL28071194 0.85 PLAU (0.64) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL20022976 0.83 NPC1 (0.62) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL11057368 0.81 ALDH1A1 (0.59) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL9976045 0.80 ALDH1A1 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL11068784 0.78 MEN1 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4MEN1

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 PLAAT3 938/4885PLAAT5 1023/4885PLAAT2 191/4885

“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.