SCHEMBL20830873

SCHEMBL20830873

CN[C@@H](Cc1cccs1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
RAB9A P51151 5/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CTSC P53634 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
XIAP P98170 1/20 0.36
CTSB P07858 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10728387 0.83 CTSK (0.58) RAB9ACTSSCTSKCTSCCTSB
SCHEMBL16847746 0.80 CTSB (0.55) CTSSCTSKCTSB
SCHEMBL16684110 0.80 CYP2C19 (0.51) CYP2C19RAB9ACTSSCTSKALDH1A1
SCHEMBL20830872 0.79 CTSB (0.44) CYP2C19CTSSCTSKALDH1A1CTSC
SCHEMBL10082476 0.77 MDM4 (0.42) CTSSCTSKKMT2ACTSB
SCHEMBL9257417 0.74 NPC1 (0.46) CYP2C19RAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14048129 0.74 CYP2C19 (0.54) CYP2C19RAB9ACTSSCTSKALDH1A1
SCHEMBL8188457 0.74 CYP2C19 (0.64) CYP2C19RAB9ACTSSCTSKALDH1A1
SCHEMBL12220083 0.74 CYP2C19 (0.54) CYP2C19RAB9ACTSSCTSKALDH1A1
SCHEMBL14019361 0.74 CYP2C19 (0.64) CYP2C19RAB9ACTSSCTSKALDH1A1

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-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-04-28 US disclosed
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2019-03-21 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 (2 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-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, BCR CYP2C19 3423/4885RAB9A 2990/4885CTSS 1649/4885
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR CYP2C19 3423/4885RAB9A 2990/4885CTSS 1649/4885

“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.