SCHEMBL2544461

SCHEMBL2544461

COCc1nc(N(C[C@H](Cc2ccc(C(C)(F)F)nc2)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)sc1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.33
AAK1 Q2M2I8 4/20 0.32
ATM Q13315 1/20 0.32
PTPN1 P18031 1/20 0.31
SYK P43405 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
SCHEMBL2548035 0.94 ATM (0.33) PTPRBAAK1ATMPTPN1
SCHEMBL2548038 0.94 ATM (0.33) PTPRBAAK1ATMPTPN1
SCHEMBL12241522 0.88 MLYCD (0.31)
SCHEMBL1743581 0.84 PTPN1 (0.31) PTPN1
SCHEMBL12277487 0.83 PTPRB (0.34) PTPRBAAK1ATMPTPN1SYK
SCHEMBL2550148 0.82 ATM (0.35) PTPRBAAK1ATM
SCHEMBL4298661 0.82 ATM (0.35) PTPRBAAK1ATM
SCHEMBL2550153 0.82 ATM (0.35) PTPRBAAK1ATM
SCHEMBL1742999 0.81 ATM (0.31) ATM
SCHEMBL2549235 0.81 ATM (0.31) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 PTPRB 879/4885AAK1 588/4885ATM 332/4885

“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.