SCHEMBL21367041

SCHEMBL21367041

COC(=O)[C@H]1[C@H](CCCB2OC(C)(C)C(C)(C)O2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FKBP1A P62942 1/20 0.39
PREP P48147 1/20 0.38
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
HTT P42858 1/20 0.38
PRCP P42785 1/20 0.38
F2 P00734 2/20 0.37
ELANE P08246 2/20 0.37
CTSG P08311 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL22118726 1.00 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31367114 1.00 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21358147 0.86 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2PREPF2
SCHEMBL21358644 0.83 MITF (0.36) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31367151 0.83 HTR2C (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL21358595 0.82
SCHEMBL31367163 0.81 HTT (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL31367126 0.81 CPB1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL31367157 0.81 HTT (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL31367142 0.81 HTT (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HTT

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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 US disclosed
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO 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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 TP53 4159/4885NPC1 516/4885RAB9A 2029/4885

“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.