SCHEMBL6259727

SCHEMBL6259727

COC(=O)c1ccc(C(=O)NCC(OC)OC)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
HPGD P15428 4/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL26970100 0.83 NPSR1 (0.58) KMT2AMEN1NPSR1PPARGNCOA1
SCHEMBL16011515 0.80 HDAC1 (0.61) KMT2ANPSR1LMNAPPARGNCOA2
SCHEMBL2001834 0.78 NPSR1 (0.50) KMT2ANPSR1LMNAPPARGNCOA2
SCHEMBL1587972 0.78 HPGD (0.50) KMT2AMEN1NPSR1LMNAPPARG
SCHEMBL70027 0.77 NPSR1 (0.67) KMT2ANPSR1LMNAPPARGNCOA2
SCHEMBL6365588 0.77 MAPT (0.59) KMT2AMEN1NPSR1HPGDTDP1
SCHEMBL1304018 0.76 MAPT (0.53) KMT2AMEN1NPSR1LMNAPPARG
SCHEMBL6662656 0.76 MAPT (0.53) KMT2AMEN1NPSR1LMNAPPARG
SCHEMBL7293571 0.75 GAA (0.60) KMT2AMEN1HPGDTSHRL3MBTL1
SCHEMBL1588287 0.75 NPSR1 (0.51) NPSR1LMNAPPARGNCOA2NCOA1

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK KMT2A 1803/4885MEN1 3793/4885NPSR1 3361/4885

“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.