SCHEMBL1979688

SCHEMBL1979688

CC(C)(C)OC(=O)N1CCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.60
MAPK1 P28482 1/20 0.52
GPR119 Q8TDV5 2/20 0.52
KMT2A Q03164 3/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
YAP1 P46937 1/20 0.47
PTPRB P23467 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL13938176 0.96 STS (0.56) STSMAPK1GPR119KMT2APTPN2
SCHEMBL1979225 0.90 USP30 (0.50) STSMAPK1GPR119KMT2AKDM4E
SCHEMBL3917709 0.88 GPR119 (0.51) STSMAPK1GPR119KMT2APTPN2
SCHEMBL13938196 0.87 FKBP1A (0.49) STSMAPK1GPR119
SCHEMBL3266038 0.87 YAP1 (0.60) STSGPR119KDM4EPKMKEAP1
SCHEMBL13938199 0.86 KDM4E (0.50) STSMAPK1GPR119KMT2AKDM4E
SCHEMBL1980404 0.86 HSD17B10 (0.53) STSMAPK1KMT2A
SCHEMBL3266040 0.86 STS (0.45) STSMAPK1KMT2AHTT
SCHEMBL13938169 0.86 STS (0.49) STSMAPK1GPR119KMT2AKDM4E
SCHEMBL13938153 0.86 POLB (0.45) STSMAPK1KMT2AHTTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326840-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2012-04-11 EP disclosed
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed
EP-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
EP-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7304053-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2007-12-04 US disclosed
US-7304053-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2007-12-04 US disclosed
US-7135483-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-11-14 US disclosed
US-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-10-05 US disclosed
US-6809093-B2 DRUG RESISTANCE THERAPY H. LEE MOFFITT CANCER & RESEARCH INSTITUTE, INC. 2004-10-26 US disclosed
EP-1326834-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS The Procter & Gamble Company (US) 2003-07-16 EP disclosed
EP-1326833-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2003-07-16 EP disclosed
US-20020119960-A1 Substituted piperidine amides and methods of their use H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. 2002-08-29 US disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 US disclosed
WO-2002032868-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
WO-2002032869-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
US-6376514-B1 PIPERIDINE-DERIVED COMPOUNDS CONTAINING A QUINOLYL GROUP THAT INHIBITS P-GLYCOPROTEIN TRANSPORT PROTEIN ACTIVITY; FOR TREATING CANCER AND OTHER DISEASES THE PROCTER & GAMBLE CO. 2002-04-23 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 (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-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE ABCC1, ABCB1, ABCB11 STS 347/4885MAPK1 3186/4885GPR119 834/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 STS 568/4885MAPK1 3832/4885GPR119 1366/4885
US-20020119960-A1 Substituted piperidine amides and methods of their use ABCC1, SLC11A2, ABCB1 STS 1786/4885MAPK1 4545/4885GPR119 1665/4885

“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.