SCHEMBL3494969

SCHEMBL3494969

Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)S2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
EPHX2 P34913 1/20 0.39
BUB1 O43683 1/20 0.39
KMT2A Q03164 4/20 0.39
TP53 P04637 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
SCD5 Q86SK9 1/20 0.36
MEN1 O00255 3/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TACR1 P25103 1/20 0.36
POLB P06746 1/20 0.35
DTYMK P23919 2/20 0.35

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
SCHEMBL3494968 1.00 GPR119 (0.41) GPR119EPHX2BUB1KMT2ATP53
Water SCHEMBL3492980 0.99 GPR119 (0.41) GPR119EPHX2BUB1KMT2ATP53
SCHEMBL3493112 0.88 MEN1 (0.44) BUB1KMT2AMEN1POLB
SCHEMBL3492205 0.88 GPR119 (0.40) GPR119BUB1USP30KDM4EMAPT
SCHEMBL3492209 0.88 GPR119 (0.40) GPR119BUB1USP30KDM4EMAPT
SCHEMBL3493115 0.88 MEN1 (0.44) BUB1KMT2AMEN1POLB
SCHEMBL3493583 0.88 HDAC2 (0.41) GPR119BUB1KMT2AMEN1SMN1; SMN2
SCHEMBL3493586 0.88 HDAC2 (0.41) GPR119BUB1KMT2AMEN1SMN1; SMN2
SCHEMBL3493951 0.87 MEN1 (0.43) GPR119EPHX2BUB1KMT2AUSP30
SCHEMBL3493950 0.87 MEN1 (0.43) GPR119EPHX2BUB1KMT2AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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 (1 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B GPR119 25/4885EPHX2 2750/4885BUB1 1195/4885

“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.