SCHEMBL21451430

SCHEMBL21451430

CC(C)(C)CN[C@](C)(CO)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.36
CD274 Q9NZQ7 4/20 0.33
PDCD1 Q15116 3/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL14926764 1.00 NAALAD2 (0.36) NAALAD2CD274PDCD1PDCD1LG2TSHR
SCHEMBL21451342 1.00 NAALAD2 (0.36) NAALAD2CD274PDCD1PDCD1LG2TSHR
SCHEMBL23052652 0.82
SCHEMBL24476511 0.81 NAALAD2 (0.33) NAALAD2CD274PDCD1PDCD1LG2
SCHEMBL24476311 0.81 NAALAD2 (0.33) NAALAD2CD274PDCD1PDCD1LG2
SCHEMBL20999124 0.79 TSHR (0.39) NAALAD2CD274PDCD1PDCD1LG2TSHR
SCHEMBL22487748 0.79 TSHR (0.39) NAALAD2CD274PDCD1PDCD1LG2TSHR
SCHEMBL10207220 0.79 TSHR (0.39) NAALAD2CD274PDCD1PDCD1LG2TSHR
SCHEMBL24134793 0.77 NAALAD2 (0.36) NAALAD2CD274PDCD1PDCD1LG2TSHR
SCHEMBL23052783 0.77 TSHR (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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-11384048-B2 Aromatic vinyl or aromatic ethyl derivative, preparation method therefor, intermediate, pharmaceutical composition, and application GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2022-07-12 US disclosed
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof SHANGHAI MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-12-16 US disclosed
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. 2021-08-03 US disclosed
US-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-03-04 US disclosed
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD (CN) 2019-10-10 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 (5 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-11384048-B2 Aromatic vinyl or aromatic ethyl derivative, preparation method therefor, intermediate, pharmaceutical composition, and application PDCD1, CD274, PDCD1LG2 NAALAD2 3302/4885CD274 2/4885PDCD1 1/4885
US-20210061755-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION PDCD1, CD274, PDCD1LG2 NAALAD2 3302/4885CD274 2/4885PDCD1 1/4885
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof CD274, PDCD1LG2, PDCD1 NAALAD2 2483/4885CD274 1/4885PDCD1 3/4885
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 NAALAD2 839/4885CD274 2/4885PDCD1 1/4885
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof PDCD1, CD274, PDCD1LG2 NAALAD2 839/4885CD274 2/4885PDCD1 1/4885

“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.