SCHEMBL20022982

SCHEMBL20022982

O=C(OCc1ccccc1)C(=S)NCc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.59
ATG4B Q9Y4P1 2/20 0.59
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
MAOB P27338 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL20022983 0.91 ALDH1A1 (0.53) LMNAL3MBTL1MAPTALDH1A1RAB9A
SCHEMBL20022962 0.86 LMNA (0.58) PLA2G1BATG4BLMNAL3MBTL1MAPT
SCHEMBL3434164 0.82 PLAU (0.64) PLA2G1BATG4BLMNAL3MBTL1MAPT
SCHEMBL17064147 0.82 PLAU (0.64) PLA2G1BATG4BLMNAL3MBTL1MAPT
SCHEMBL20022955 0.76 HTT (0.55) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL20911008 0.75 RAB9A (0.75) PLA2G1BATG4BLMNAALDH1A1RAB9A
SCHEMBL7635587 0.75 ALDH1A1 (0.54) LMNAL3MBTL1MAPTALDH1A1RAB9A
SCHEMBL6554287 0.75 IDO1 (0.52) LMNAL3MBTL1MAPTRAB9AKMT2A
SCHEMBL2707002 0.73 LMNA (0.51) LMNAL3MBTL1MAPTALDH1A1RAB9A
SCHEMBL7061979 0.72 PLAAT3 (0.57) LMNAALDH1A1KDM4E

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 PLA2G1B 1307/4885ATG4B 4413/4885LMNA 1311/4885

“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.