SCHEMBL311510

SCHEMBL311510

CC[N+]([O-])(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.47
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
TGFBR1 P36897 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
NOTCH1 P46531 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
TACR1 P25103 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL312375 0.88 MAPT (0.48) STSPTPN2PTPN1PTPN6TGFBR1
SCHEMBL15732546 0.86 STS (0.52) STSPTPN2PTPN1PTPN6TGFBR1
SCHEMBL15732669 0.84 STS (0.46) STSPTPN2PTPN1PTPN6TGFBR1
SCHEMBL14782485 0.84 EPHX2 (0.47) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL15732703 0.83 STS (0.46) STSPTPN2PTPN1PTPN6TGFBR1
SCHEMBL29491079 0.77 UBE2M (0.67) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL18658290 0.77 UBE2M (0.67) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL16225262 0.76 HSD11B1 (0.60) STSPTPN2PTPN1PTPN6TGFBR1
SCHEMBL31414500 0.74 KMT2A (0.63) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL203533 0.74 KMT2A (0.42) STSPTPN2PTPN1PTPN6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 STS 3776/4885PTPN2 792/4885PTPN1 1121/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 STS 3776/4885PTPN2 792/4885PTPN1 1121/4885

“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.