SCHEMBL12435367

SCHEMBL12435367

CC1=C(C(=O)O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA1 P30542 1/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
ESR2 Q92731 1/20 0.38
EPHX1 P07099 1/20 0.38
NR1H2 P55055 3/20 0.38
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL13801225 0.85 USP2 (0.50) USP2SMN1; SMN2MAPK1HPGDGPR119
SCHEMBL19080544 0.83 NR1H2 (0.47) USP2SMN1; SMN2MAPK1GPR119ESR2
SCHEMBL24535479 0.81 USP2 (0.36) USP2SMN1; SMN2ADORA1MAPK1GPR119
SCHEMBL21154518 0.79 USP2 (0.36) USP2SMN1; SMN2ADORA1MAPK1HPGD
SCHEMBL16224510 0.77 USP2 (0.43) USP2SMN1; SMN2MAPK1HPGDGPR119
SCHEMBL12435353 0.77 NR1H2 (0.44) USP2SMN1; SMN2ADORA1MAPK1HPGD
SCHEMBL14719429 0.76 USP2 (0.42) USP2SMN1; SMN2MAPK1HPGDGPR119
SCHEMBL1751366 0.75 GPR119 (0.45) MAPK1GPR119
SCHEMBL2292608 0.75 USP2 (0.52) USP2SMN1; SMN2MAPK1HPGDGPR119
SCHEMBL18725619 0.75 NR1H2 (0.51) USP2SMN1; SMN2MAPK1HPGDESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B USP2 4051/4885SMN1; SMN2 1248/4885ADORA1 271/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT USP2 4041/4885SMN1; SMN2 1425/4885ADORA1 306/4885

“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.