SCHEMBL21451280

SCHEMBL21451280

CC(C)(C)CNC(CO)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7348175 0.82 ECE1 (0.39)
SCHEMBL7350029 0.82 ECE1 (0.39)
SCHEMBL21451319 0.81 TGFBR1 (0.42) TGFBR1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL21451274 0.81 TGFBR1 (0.42) TGFBR1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL23052779 0.81 TGFBR1 (0.42) TGFBR1MEN1CYP2D6CYP2C19KMT2A
SCHEMBL3242285 0.80 CTSS (0.41) MEN1KMT2ACA12CA1CA9
SCHEMBL20999419 0.76
SCHEMBL12311713 0.76
SCHEMBL1577181 0.74 TGFBR1 (0.38) TGFBR1CA12CA1CA2CA9
SCHEMBL19719689 0.74 TGFBR1 (0.38) TGFBR1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 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-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 (4 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-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL TGFBR1 2248/4885MEN1 896/4885CYP2D6 120/4885
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof CD274, PDCD1LG2, PDCD1 TGFBR1 649/4885MEN1 706/4885CYP2D6 543/4885
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 TGFBR1 122/4885MEN1 668/4885CYP2D6 1659/4885
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof PDCD1, CD274, PDCD1LG2 TGFBR1 122/4885MEN1 668/4885CYP2D6 1659/4885

“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.