SCHEMBL311627

SCHEMBL311627

O=C(CNC(=O)C1CCN(C(=O)O)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
HSD11B1 P28845 1/20 0.50
UBE2M P61081 2/20 0.49
DCUN1D1 Q96GG9 2/20 0.49
MGLL Q99685 1/20 0.49
CCR2 P41597 4/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
RBP4 P02753 1/20 0.45
ACKR3 P25106 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL311246 0.86 STS (0.56) KMT2AHSD11B1UBE2MDCUN1D1MGLL
SCHEMBL15732567 0.86 GAA (0.50) KMT2AHSD11B1UBE2MDCUN1D1MGLL
SCHEMBL3628692 0.86 KMT2A (0.49) KMT2AHSD11B1UBE2MDCUN1D1MGLL
SCHEMBL805657 0.85 RXFP1 (0.51) CCR2LMNAPOLBHPGDACKR3
SCHEMBL311460 0.84 HSD11B1 (0.53) HSD11B1MGLLCCR2
SCHEMBL15732620 0.82 POLB (0.43) KMT2AHSD11B1UBE2MDCUN1D1LMNA
SCHEMBL23443582 0.82 HSD11B1 (0.55) KMT2AHSD11B1UBE2MDCUN1D1MGLL
SCHEMBL15732637 0.81 NOTUM (0.45) KMT2AHSD11B1UBE2MDCUN1D1LMNA
SCHEMBL18640238 0.78 UBE2M (0.72) KMT2AUBE2MDCUN1D1TSHRLMNA
SCHEMBL17597825 0.77 KMT2A (0.56) KMT2AHSD11B1TSHRLMNA

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 KMT2A 3302/4885HSD11B1 4245/4885UBE2M 2168/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KMT2A 3302/4885HSD11B1 4245/4885UBE2M 2168/4885

“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.