SCHEMBL2551213

SCHEMBL2551213

CC(C)(C)OC(=O)N[C@H](CN(C(=O)O)c1ncc(Br)s1)C(c1ccc(C(F)(F)F)nc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
AKT1 P31749 1/20 0.31
P2RX7 Q99572 4/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
FFAR2 O15552 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP2C9 P11712 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
P2RY2 P41231 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
SCHEMBL2549404 0.87 CA1 (0.35) CA1CA2CA4CA7CA9
SCHEMBL2546502 0.87 CA1 (0.35) CA1CA2CA4CA7CA9
SCHEMBL1743002 0.85 CA1 (0.32) CA1CA2CA4CA7CA9
SCHEMBL2544478 0.82 PPARG (0.36) CA1CA2CA4CA7CA9
SCHEMBL2544463 0.82 CA1 (0.33) CA1CA2CA4CA7CA9
SCHEMBL1743887 0.82 OGA (0.36) CA1CA2CA4CA7CA9
SCHEMBL2545442 0.82 ATM (0.37) AKT1CTSSCTSKCYP2C9AAK1
SCHEMBL2545438 0.82 ATM (0.37) AKT1CTSSCTSKCYP2C9AAK1
SCHEMBL2546511 0.81 PPARG (0.35) CA1CA2CA4CA7CA9
SCHEMBL2548962 0.81 PPARG (0.37) CA1CA2CA4CA7CA9

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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 CA1 3816/4885CA2 1505/4885CA4 2831/4885

“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.