SCHEMBL19401968

SCHEMBL19401968

CC(C)(C)OC(=O)CCC(CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
CASP1 P29466 7/20 0.49
CTRB1 P17538 2/20 0.49
MAPT P10636 1/20 0.47
CTSK P43235 2/20 0.45
ATM Q13315 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44

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
SCHEMBL19401966 1.00 SYK (0.58) SYKCASP1CTRB1MAPTCTSK
SCHEMBL18575403 0.91 SYK (0.56) SYKCASP1CTRB1MAPTCTSK
SCHEMBL25318929 0.91 SYK (0.56) SYKCASP1CTRB1MAPTCTSK
SCHEMBL17513638 0.91 SYK (0.56) SYKCASP1CTRB1MAPTCTSK
SCHEMBL21834805 0.90 SYK (0.55) SYKCASP1CTRB1MAPTCTSK
SCHEMBL1556449 0.89 SYK (0.60) SYKCASP1CTRB1MAPTCTSK
SCHEMBL143120 0.89 SYK (0.60) SYKCASP1CTRB1MAPTCTSK
SCHEMBL12849605 0.89 SYK (0.69) SYKCTRB1MAPTCTSKATM
SCHEMBL25256638 0.89 SYK (0.62) SYKCASP1CTRB1CTSKATM
SCHEMBL25301720 0.89 SYK (0.62) SYKCASP1CTRB1CTSKATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. 2022-06-16 US disclosed
EP-3953376-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS Protagonist Therapeutics, Inc. (US) 2022-02-16 EP disclosed
CN-113631569-A Process for the synthesis of beta-homoamino acids 领导医疗有限公司 2021-11-09 CN disclosed
WO-2020198682-A1 METHODS FOR SYNTHESIZING β-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2017165676-A1 METHODS FOR SYNTHESIZING α4β7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2017-09-28 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-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PSMA7, ITGB7, SCN7A SYK 4712/4885CASP1 3905/4885CTRB1 3385/4885

“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.