SCHEMBL3930563

SCHEMBL3930563

CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
HSD17B10 Q99714 1/20 0.46
CTSD P07339 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14393789 0.82 CTSD (0.43) ITGB3ITGA2BCTSDCTSLCTSB
SCHEMBL13747154 0.82 CTSD (0.49) CTSDCTSLCTSBCTSSKMT2A
SCHEMBL8245093 0.80 CTSD (0.44) ITGB3ITGA2BCTSDCTSLCTSB
SCHEMBL5606075 0.78 L3MBTL1 (0.51) ITGB3ITGA2BLMNAALDH1A1L3MBTL1
SCHEMBL24112497 0.78 CTSD (0.46) CTSDCTSLCTSBCTSSHPGD
SCHEMBL9358174 0.78 CTSD (0.66) CTSDCTSLCTSBCTSSLMNA
SCHEMBL25450670 0.76 CTSD (0.44) CTSDCTSLCTSBCTSSHRH3
SCHEMBL11031052 0.76 HSD17B10 (0.47) HSD17B10LMNASMN1; SMN2
SCHEMBL43357 0.74 HPGD (0.66) HSD17B10LMNAKMT2AHPGDRECQL
SCHEMBL5024028 0.74 KMT2A (0.48) HSD17B10CTSSLMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITGB3 3605/4885ITGA2B 4204/4885HSD17B10 1006/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 ITGB3 3760/4885ITGA2B 3913/4885HSD17B10 887/4885

“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.