SCHEMBL3266040

SCHEMBL3266040

CC1CC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.45
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
FKBP1A P62942 2/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1979688 0.86 STS (0.60) STSMAPK1KMT2AHTT
SCHEMBL13938176 0.83 STS (0.56) STSMAPK1KMT2AALDH1A1HTT
SCHEMBL1980404 0.81 HSD17B10 (0.53) STSMAPK1KMT2AFKBP1AF2
SCHEMBL1979169 0.81 FKBP1A (0.55) KMT2AFKBP1AF2PRSS1MEN1
SCHEMBL1979225 0.81 USP30 (0.50) STSMAPK1KMT2AALDH1A1MAPT
SCHEMBL13938199 0.78 KDM4E (0.50) STSMAPK1KMT2AALDH1A1MAPT
SCHEMBL1979768 0.78 FKBP1A (0.52) KMT2AFKBP1AF2PRSS1MEN1
SCHEMBL1986802 0.77 FKBP1A (0.48) KMT2AFKBP1AF2PRSS1MEN1
SCHEMBL14347227 0.77 KMT2A (0.47) MAPK1KMT2AALDH1A1MEN1
SCHEMBL13938153 0.77 POLB (0.45) STSMAPK1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1326833-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2003-07-16 EP disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 US 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 (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-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE ABCC1, ABCB1, ABCB11 STS 347/4885MAPK1 3186/4885KMT2A 3027/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 STS 568/4885MAPK1 3832/4885KMT2A 2975/4885

“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.