SCHEMBL1989583

SCHEMBL1989583

CCOC(=O)C(=O)c1ncccc1NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.56
BRD4 O60885 2/20 0.53
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP2 O95551 1/20 0.39
GPR35 Q9HC97 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP17A1 P05093 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL4906896 0.88 BRD4 (0.70) METAP1BRD4CYP1A2MAPTCYP2C19
SCHEMBL4244032 0.85 BRD4 (0.55) METAP1BRD4CYP1A2CYP3A4CYP2D6
SCHEMBL2412625 0.81 GPR35 (0.39) METAP1BRD4CYP1A2MAPTCYP2C19
SCHEMBL13211408 0.80 METAP1 (0.64) METAP1BRD4TDP2BRD9NAMPT
SCHEMBL31047027 0.80 METAP1 (0.64) METAP1BRD4CYP3A4MAPTTDP2
SCHEMBL30937705 0.80 METAP1 (0.64) METAP1BRD4TDP2BRD9NAMPT
SCHEMBL4345991 0.79 METAP1 (0.62) METAP1BRD4TDP2BRD9ALDH1A1
SCHEMBL7848797 0.78 METAP1 (0.52) METAP1BRD4CYP1A2CYP2C19ALDH1A1
SCHEMBL30668778 0.77 METAP1 (0.56) METAP1BRD4TDP2BRD9NAMPT
SCHEMBL3243855 0.77 METAP1 (0.56) METAP1BRD4TDP2BRD9NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020148325-A1 NEUTRAL LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-07-23 WO disclosed
WO-2020148325-A1 NEUTRAL LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-07-23 WO disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
WO-2011119694-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119694-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20070135464-A1 Antiinflammation agents AMGEN, INC. 2007-06-14 US disclosed
US-20070135464-A1 Antiinflammation agents AMGEN, INC. 2007-06-14 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 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 (3 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-20070135464-A1 Antiinflammation agents TNF, NFATC1, NFKBIA METAP1 919/4885BRD4 423/4885CYP1A2 2068/4885
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 METAP1 4175/4885BRD4 446/4885CYP1A2 2390/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 METAP1 2110/4885BRD4 551/4885CYP1A2 292/4885

“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.