SCHEMBL10182038

SCHEMBL10182038

COCOc1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.50
PDE4B Q07343 5/20 0.47
USP30 Q70CQ3 1/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ABL2 P42684 1/20 0.41
USP7 Q93009 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12592451 0.89 PDE4B (0.53) TACR1PDE4BUSP30ABL1EGFR
SCHEMBL1752278 0.89 PDE4B (0.53) TACR1PDE4BUSP30ABL1EGFR
SCHEMBL2239880 0.89 TACR1 (0.54) TACR1PDE4BUSP30GPR119JAK2
SCHEMBL10181945 0.88 TACR1 (0.51) TACR1PDE4BUSP30ABL1EGFR
SCHEMBL12054719 0.87 TACR1 (0.49) TACR1PDE4BABL1EGFRSRC
SCHEMBL10184041 0.87 TACR1 (0.47) TACR1PDE4BUSP30ABL1EGFR
SCHEMBL8263919 0.87 TACR1 (0.47) TACR1PDE4BUSP30ABL1EGFR
SCHEMBL10183269 0.87 TACR1 (0.49) TACR1PDE4BABL1EGFRSRC
SCHEMBL8266224 0.87 TACR1 (0.49) TACR1PDE4BABL1EGFRSRC
SCHEMBL13307266 0.83 PDE4B (0.43) TACR1PDE4BUSP30PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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-20110263560-A1 Organic Compounds REN, ACE, OTC TACR1 433/4885PDE4B 457/4885USP30 3528/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TACR1 475/4885PDE4B 543/4885USP30 3470/4885

“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.