SCHEMBL5213562

SCHEMBL5213562

CC(C)(C)OC(=O)NCc1ccc(C(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
SYK P43405 1/20 0.59
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
NTSR1 P30989 1/20 0.52
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TACR1 P25103 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
CYP3A4 P08684 1/20 0.49
PPARA Q07869 1/20 0.48
CTSK P43235 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL7092624 0.97 ATM (0.64) ATMSYKCTSSCTSLNTSR1
SCHEMBL5206282 0.92 SYK (0.58) ATMSYKCTSSCTSLNTSR1
SCHEMBL14485285 0.86 SYK (0.62) SYKNTSR1LMNAMEN1KMT2A
SCHEMBL7432324 0.84 SYK (0.44) ATMSYKNTSR1LMNAGAA
SCHEMBL11973516 0.84 ITGB3 (0.59) SYKCTSSCTSLNTSR1MEN1
SCHEMBL11973513 0.84 ITGB3 (0.59) SYKCTSSCTSLNTSR1MEN1
SCHEMBL7448308 0.84 HDAC1 (0.52) ATMCTSSNTSR1MEN1KMT2A
SCHEMBL10589713 0.82 NTSR1 (0.54) ATMSYKNTSR1MEN1KMT2A
SCHEMBL14485661 0.81 CTSS (0.64) SYKCTSSCTSLMEN1KMT2A
SCHEMBL20136152 0.81 CTSS (0.64) SYKCTSSCTSLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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 (2 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ATM 3243/4885SYK 2489/4885CTSS 38/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ATM 3516/4885SYK 2804/4885CTSS 63/4885

“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.