SCHEMBL21451401

SCHEMBL21451401

COc1nc(C(C)(C)C)ccc1CN[C@H](CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 17/20 0.59
▸ PDCD1 Q15116 14/20 0.59
▸ TRPV1 Q8NER1 1/20 0.45
▸ PDCD1LG2 Q9BQ51 3/20 0.40
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38

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
SCHEMBL20999801 0.84 CD274 (0.65) CD274PDCD1PDCD1LG2
SCHEMBL21451282 0.83 CD274 (0.47) CD274PDCD1TRPV1PDCD1LG2
SCHEMBL20999511 0.82 CD274 (0.61) CD274PDCD1PDCD1LG2
SCHEMBL14845777 0.74 TRPV1 (0.43) CD274PDCD1TRPV1PDCD1LG2
SCHEMBL21451353 0.74 CD274 (0.60) CD274PDCD1ITGA4ITGB7
SCHEMBL23949242 0.72 CD274 (0.66) CD274PDCD1
SCHEMBL20999193 0.72 CD274 (0.67) CD274PDCD1
SCHEMBL21451273 0.72 CD274 (0.55) CD274PDCD1TRPV1PDCD1LG2
SCHEMBL25238852 0.71 PDCD1 (1.00) CD274PDCD1
SCHEMBL24252544 0.71 PDCD1 (1.00) CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof CD274, PDCD1LG2, PDCD1 CD274 1/4885PDCD1 3/4885TRPV1 1514/4885
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1 1/4885TRPV1 2231/4885
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1 1/4885TRPV1 2231/4885

“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.

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