SCHEMBL3923396

SCHEMBL3923396

CC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
RECQL P46063 1/20 0.51
STS P08842 5/20 0.49
KMT2A Q03164 3/20 0.49
EPHX1 P07099 1/20 0.48
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
MEN1 O00255 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
SCHEMBL6505073 0.87 HPGD (0.52) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL23674877 0.87 HPGD (0.61) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL12189222 0.86 HPGD (0.51) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL21184012 0.82 HPGD (0.52) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL2146474 0.80 HPGD (0.57) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL27022359 0.79 RECQL (0.61) PTPN2PTPN1PTPN6RECQLSTS
SCHEMBL1245452 0.79 HPGD (0.62) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL24392034 0.79 HPGD (0.62) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL16400521 0.79 KMT2A (0.67) HPGDPTPN2PTPN1PTPN6RECQL
SCHEMBL16376307 0.78 HPGD (0.58) HPGDPTPN2PTPN1PTPN6RECQL

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 HPGD 169/4885PTPN2 3476/4885PTPN1 3760/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 HPGD 99/4885PTPN2 3526/4885PTPN1 3177/4885

“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.