SCHEMBL8256151

SCHEMBL8256151

O=C(O)c1cc2c(s1)CCc1sccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.44
DAO P14920 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NOTUM Q6P988 5/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.33
BCL2L1 Q07817 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CES1 P23141 1/20 0.32

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
SCHEMBL15219995 0.77 CES1 (0.50) LMNAHPGDUSP2MEN1MAPT
SCHEMBL9985813 0.76 DAO (0.50) GPR35DAOALDH1A1NOTUMKDM4E
SCHEMBL20597393 0.75 NOTUM (0.63) DAOALDH1A1NOTUMKDM4ELMNA
SCHEMBL5746932 0.73 CES1 (0.46) GPR35DAOALDH1A1NOTUMKDM4E
SCHEMBL13550145 0.72 KDM4E (0.50) ALDH1A1KDM4ELMNAHPGDGLA
Ammonia Solution, Strong SCHEMBL6102503 0.72 CES1 (0.44) GPR35DAOALDH1A1NOTUMKDM4E
SCHEMBL4915977 0.71 CES1 (0.47) GPR35DAOALDH1A1NOTUMKDM4E
SCHEMBL2436103 0.70 DAO (0.61) GPR35DAOALDH1A1NOTUMKDM4E
SCHEMBL10531167 0.70 NOTUM (0.65) DAOALDH1A1NOTUMKDM4ELMNA
SCHEMBL9309602 0.65 CES1 (0.41) LMNAUSP2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 GPR35 3511/4885DAO 475/4885ALDH1A1 1358/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 GPR35 3511/4885DAO 475/4885ALDH1A1 1358/4885

“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.