SCHEMBL3465587

SCHEMBL3465587

C[C](C)CC(C)(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALOX15 P16050 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KDM4E B2RXH2 2/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9842065 0.83 LMNA (0.37) LMNAALOX15BLMPMP22KDM4E
SCHEMBL960674 0.80 KDM4E (0.40) LMNAALOX15BLMPMP22KDM4E
SCHEMBL804144 0.78 KDM4E (0.54) KDM4EHMGCRCHRM1TBXA2RADRA1A
Hydrochloric Acid SCHEMBL3350621 0.78 KDM4E (0.38) LMNAALOX15BLMPMP22KDM4E
SCHEMBL5069470 0.76 KDM4E (0.31) LMNAALOX15BLMPMP22KDM4E
SCHEMBL9688090 0.74 TDP1 (0.43) LMNAKDM4ETDP1ALDH1A1HSD17B10
SCHEMBL15776831 0.74 MCL1 (0.31)
SCHEMBL15434694 0.72 TSHR (0.42) LMNAKDM4EUSP2ALDH1A1HPGD
SCHEMBL4954272 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1515480 0.72 HDAC3 (0.37) LMNABLMPMP22KDM4ECYP3A4

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP claimed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US claimed
EP-1904471-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-02 EP claimed
EP-1888519-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-20 EP claimed
WO-2007054139-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO claimed
US-7208526-B2 For example, (E)-2-(4-Chloro-phenyl)-ethenesulfonic acid 2,4-dichloro-benzoylamide; for use in the control or prevention of illnesses such as cancer; antitumor agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
WO-2007006459-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO claimed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
US-20060270874-A1 Styrylsulfonamides HOFFMANN-LA ROCHE INC. 2006-11-30 US claimed
US-10113052-B2 5H-furan-2-one derivatives stabilization of organic material BASF SE (DE) 2018-10-30 US disclosed
US-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL BASF SCHWEIZ AG (CH) 2016-12-15 US disclosed
US-9458380-B2 5H-furan-2-one derivatives for stabilization of organic material BASF SE (DE) 2016-10-04 US disclosed
EP-2705082-B1 5H-FURAN-2-ONE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIAL BASF SE (DE) 2015-09-23 EP disclosed
US-20060270874-A1 Styrylsulfonamides HOFFMANN-LA ROCHE INC. 2006-11-30 US disclosed
WO-2006056863-A1 PYRIDO’2, 3-D!PYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-01 WO disclosed
US-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 US disclosed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 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 (7 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-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP1A1, CYP3A5 LMNA 2115/4885ALOX15 1133/4885BLM 787/4885
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 LMNA 1495/4885ALOX15 4431/4885BLM 4293/4885
US-10113052-B2 5H-furan-2-one derivatives stabilization of organic material C5, C9, CBR1 LMNA 325/4885ALOX15 201/4885BLM 2600/4885
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS TLR1, TPMT, NOD1 LMNA 4852/4885ALOX15 105/4885BLM 3316/4885
US-20060270874-A1 Styrylsulfonamides STS, SULT1E1, BRCA1 LMNA 1178/4885ALOX15 2820/4885BLM 1813/4885
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 LMNA 2199/4885ALOX15 839/4885BLM 4699/4885
US-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL C5, C9, CBR1 LMNA 325/4885ALOX15 201/4885BLM 2600/4885

“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.