SCHEMBL26774835

SCHEMBL26774835

CCc1cc(C)ccc1BO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SRC P12931 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ POR P16435 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GABRA1 P14867 1/20 0.32

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
SCHEMBL598593 0.74 TAAR1 (0.44) AMY1AMAPTRXFP1TAAR1CYP1A2
SCHEMBL10187272 0.73 TDP1 (0.48) MAPTCYP1A2SMN1; SMN2TRPA1MEN1
Methane SCHEMBL27570896 0.72 TAAR1 (0.43) AMY1AMAPTRXFP1TAAR1CYP1A2
SCHEMBL1023280 0.71 AMY1A (0.61) AMY1AMAPTHTTTRPA1MEN1
SCHEMBL12345571 0.71 AMY1A (0.41) AMY1AMAPTRXFP1TAAR1CYP1A2
SCHEMBL7647723 0.71 GABRA1 (0.46) MAPTL3MBTL1TP53GABRA1GABRB2
SCHEMBL29462885 0.70 TAAR1 (0.58) MAPTRXFP1TAAR1CYP1A2HTT
SCHEMBL269825 0.70 TAAR1 (0.58) MAPTRXFP1TAAR1CYP1A2HTT
SCHEMBL10175432 0.70 GABRA1 (0.38) CYP1A2SMN1; SMN2TRPA1KDM4EL3MBTL1
SCHEMBL12509537 0.70 AMY1A (0.39) AMY1AMAPTRXFP1TAAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365627-A1 MACROCYCLIC PEPTIDE BORONATE IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-16 — — 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 (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-20230365627-A1 MACROCYCLIC PEPTIDE BORONATE IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 AMY1A 3334/4885MAPT 3153/4885RXFP1 1337/4885

“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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