SCHEMBL312375

SCHEMBL312375

CC[N+]([O-])(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
STS P08842 4/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
TGFBR1 P36897 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.43
MMP13 P45452 1/20 0.43
P2RY14 Q15391 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL311510 0.88 STS (0.47) MAPTSTSPTPN2PTPN1PTPN6
SCHEMBL15732546 0.86 STS (0.52) MAPTSTSPTPN2PTPN1PTPN6
SCHEMBL15732669 0.85 STS (0.46) MAPTSTSPTPN2PTPN1PTPN6
SCHEMBL14782485 0.85 EPHX2 (0.47) STSPTPN2PTPN1PTPN6GPR119
SCHEMBL15732703 0.84 STS (0.46) MAPTSTSPTPN2PTPN1PTPN6
SCHEMBL203533 0.81 KMT2A (0.42) STSPTPN2PTPN1PTPN6NPC1
SCHEMBL29716354 0.77 PTPN2 (0.77) MAPTSTSPTPN2PTPN1PTPN6
SCHEMBL4242260 0.76 HSD11B1 (0.62) MAPTSTSPTPN2PTPN1PTPN6
SCHEMBL23212065 0.74 KMT2A (0.55) MAPTSTSPTPN2PTPN1PTPN6
SCHEMBL4773741 0.74 MAPT (0.54) MAPTSTSPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 MAPT 814/4885STS 3776/4885PTPN2 792/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 MAPT 814/4885STS 3776/4885PTPN2 792/4885

“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.