SCHEMBL27458233

SCHEMBL27458233

CCC(CCCCCC(C)(F)CBr)COC(=O)CCSc1ccc2nc[nH]c(=O)c2c1Cl

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL30987312 0.86 CYP3A4 (0.42) ALDH1A1MAPK1
SCHEMBL24878867 0.86 CYP3A4 (0.42) ALDH1A1MAPK1
SCHEMBL27457195 0.86 ALDH1A1 (0.31) ALDH1A1MAPK1
SCHEMBL24879349 0.76 KDM4E (0.40) ALDH1A1
SCHEMBL24878907 0.73 CYP3A4 (0.37) ALDH1A1MAPK1
SCHEMBL27458190 0.73 PARP1 (0.39) ALDH1A1
SCHEMBL31723337 0.71 CYP3A4 (0.42) ALDH1A1MAPK1
SCHEMBL21154729 0.69 CYP3A4 (0.46) ALDH1A1MAPK1
SCHEMBL27453451 0.68 TNF (0.41) ALDH1A1MAPK1
SCHEMBL19785248 0.68 CYP3A4 (0.50) ALDH1A1MAPK1

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-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 — — 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-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 ALDH1A1 3565/4885MAPK1 272/4885

“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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