SCHEMBL339697

SCHEMBL339697

Cc1cc(Cl)ccc1-c1cn2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc2cc1CN

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
DPP8 Q6V1X1 4/20 0.48
DPP9 Q86TI2 3/20 0.48
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SLC2A2 P11168 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL339040 0.92 DPP4 (0.53) DPP4DPP8DPP9ALDH1A1SLC2A2
SCHEMBL338618 0.91 DPP4 (0.40) DPP4DPP8DPP9SMN1; SMN2ALDH1A1
SCHEMBL1911461 0.89 DPP4 (0.37) DPP4DPP8DPP9SLC2A2
SCHEMBL340180 0.87 DPP4 (0.46) DPP4DPP8DPP9SMN1; SMN2ALDH1A1
SCHEMBL340061 0.85 KDM4E (0.47) POLBMEN1KMT2ALMNAMAPT
SCHEMBL339827 0.81 DPP4 (0.43) DPP4DPP8DPP9SLC2A2MEN1
SCHEMBL339904 0.81 ALPL (0.46) DPP4DPP8DPP9POLBSMN1; SMN2
SCHEMBL1911459 0.80 CNR1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL339484 0.80 TSHR (0.45) DPP4DPP8DPP9SMN1; SMN2ALDH1A1
SCHEMBL340135 0.80 DPP4 (0.42) DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885

“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.