SCHEMBL20022983

SCHEMBL20022983

O=C(OCc1ccccc1)C(=S)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
ALOX12 P18054 2/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
PLAU P00749 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
MITF O75030 1/20 0.47

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
SCHEMBL20022982 0.91 PLA2G1B (0.59) ALDH1A1ALOX12HPGDKMT2AMEN1
SCHEMBL20022955 0.83 HTT (0.55) ALDH1A1KMT2AMEN1MAPTPLAU
Benzyl Benzylcarbamate SCHEMBL1136818 0.79 PLAU (0.70) ALDH1A1PLAUHTTCA12CA1
SCHEMBL8731553 0.79 ALOX12 (0.59) ALDH1A1ALOX12HPGDKMT2AMEN1
SCHEMBL21758218 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL3080811 0.78 ALDH1A1 (0.64) ALDH1A1ALOX12HPGDKMT2AMEN1
SCHEMBL27144 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AHTTCA12CA1
SCHEMBL3064641 0.78 ALOX12 (0.74) ALDH1A1ALOX12HPGDKMT2AMEN1
Benzyl Benzylcarbamate SCHEMBL9998166 0.77 PLAU (0.68) ALDH1A1PLAUHTTCA12CA1
SCHEMBL7899327 0.77 ALOX12 (0.57) ALDH1A1ALOX12HPGDKMT2AMEN1

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 ALDH1A1 961/4885ALOX12 731/4885HPGD 1055/4885

“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.