SCHEMBL5768481

SCHEMBL5768481

O=C1CCC(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.76
TSHR P16473 4/20 0.66
KMT2A Q03164 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
PKM P14618 1/20 0.66
ALDH1A1 P00352 2/20 0.58
HPGD P15428 3/20 0.54
HSP90AA1 P07900 1/20 0.53
HSP90B1 P14625 1/20 0.53
TRAP1 Q12931 1/20 0.53
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SCN9A Q15858 1/20 0.51
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL1080694 0.83 CMA1 (0.76) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL4014992 0.80 CMA1 (0.66) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL3804014 0.80 CMA1 (0.50) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL19500873 0.80 KMT2A (1.00) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL13657468 0.79 CMA1 (0.64) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL4013109 0.78 CMA1 (0.62) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL4017118 0.78 CMA1 (0.62) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL6333504 0.78 CMA1 (0.62) CMA1KMT2ASMN1; SMN2PKMALDH1A1
SCHEMBL14681264 0.76 TSHR (0.64) CMA1TSHRKMT2ASMN1; SMN2PKM
SCHEMBL13657384 0.76 CMA1 (0.64) CMA1TSHRKMT2ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
CN-1812992-A HIV integrase inhibitors TIBOTEC PHARM LTD (IE) 2006-08-02 CN disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 CMA1 2557/4885TSHR 3033/4885KMT2A 1121/4885

“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.