SCHEMBL3843901

SCHEMBL3843901

CCOC(=O)c1cnc(CO)s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.56
DBF4 Q9UBU7 6/20 0.56
GAA P10253 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 1/20 0.45
SLC5A2 P31639 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 2/20 0.42
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1912617 0.88 CDC7 (0.57) CDC7DBF4GAAHSD17B10KMT2A
SCHEMBL1646493 0.85 CDC7 (0.55) CDC7DBF4GAAHSD17B10KMT2A
SCHEMBL9939468 0.85 CDC7 (0.55) CDC7DBF4GAAHSD17B10KMT2A
SCHEMBL5911684 0.85 CDC7 (0.55) CDC7DBF4GAAKMT2ASLC5A2
SCHEMBL4989265 0.85 CDC7 (0.55) CDC7DBF4GAAHSD17B10KMT2A
SCHEMBL15896622 0.84 CDC7 (0.54) CDC7DBF4GAAHSD17B10KMT2A
SCHEMBL11705050 0.84 CDC7 (0.54) CDC7DBF4GAAHSD17B10KMT2A
SCHEMBL11709354 0.83 FFAR2 (0.39) CDC7DBF4GAAHSD17B10KMT2A
SCHEMBL3162147 0.83 CDC7 (0.52) CDC7DBF4GAAKMT2ASLC5A2
SCHEMBL28267334 0.83 CDC7 (0.52) CDC7DBF4GAASLC5A2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed
US-7078420-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-18 US disclosed
US-6977267-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-20 US disclosed
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2005-01-06 US disclosed
US-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-23 US disclosed
EP-1432700-A4 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-22 EP disclosed
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-09 US disclosed
EP-1432700-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2004-06-30 EP disclosed
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-01-15 US disclosed
WO-2003029245-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-10 WO disclosed
US-5849693-A Cyclic compounds linked by a heterocyclic ring useful as inhibitors of platelet glycoprotein IIb/IIIa THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
US-5773411-A CARDIOVASCULAR DISORDERS AND BRAIN DISORDERS AND COAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-30 US disclosed
US-5691329-A Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US disclosed
EP-0672059-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-20 EP disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO disclosed
WO-1994011398-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-05-26 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 (4 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-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL CDC7 4293/4885DBF4 3886/4885GAA 4370/4885
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL CDC7 4293/4885DBF4 3886/4885GAA 4370/4885
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL CDC7 4287/4885DBF4 3890/4885GAA 4392/4885
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, ITGA4 CDC7 3861/4885DBF4 3371/4885GAA 4699/4885

“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.