SCHEMBL8227194

SCHEMBL8227194

CC[C@H](CNc1cc(C(=O)OC)nc(Cl)n1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.46
▸ ESR1 P03372 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ APP P05067 3/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.32
▸ NQO2 P16083 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
SCHEMBL17571384 0.76 TRPA1 (0.51) SYKTRPA1ATMAAK1
SCHEMBL25389725 0.75 ESR1 (0.46) SYKESR1IDH1NQO2
SCHEMBL4508603 0.73 SYK (0.39) SYKTRPA1ATMAAK1APP
SCHEMBL3910866 0.73 SYK (0.39) SYKTRPA1ATMAAK1APP
SCHEMBL4508610 0.73 SYK (0.39) SYKTRPA1ATMAAK1APP
SCHEMBL19072212 0.72 KMT2A (0.41) SYKESR1STK17BSTK17A
SCHEMBL4499314 0.71 STK17B (0.47) SYKTRPA1ATMAAK1APP
SCHEMBL19072438 0.70 FPR2 (0.38) SYKESR1STK17BSTK17ANQO2
SCHEMBL19072400 0.70 KMT2A (0.45) SYKESR1IDH1NQO2
SCHEMBL3716263 0.69 ESR1 (0.45) SYKESR1IDH1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT SYK 2554/4885ESR1 1242/4885TRPA1 982/4885

“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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