SCHEMBL2703644

SCHEMBL2703644

Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C(=O)OCc1ccccc1)C(=O)N(C1CCS(=O)(=O)CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ DPP8 Q6V1X1 3/20 0.39
▸ DPP9 Q86TI2 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPBAR1 Q8TDU6 4/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 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
SCHEMBL2702835 0.90 DPP4 (0.39) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL2705049 0.90 DPP4 (0.39) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL8446881 0.86 TRPC3 (0.38) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL2706200 0.86 TP53 (0.40) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL2701634 0.84 GPR119 (0.39) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL2701632 0.84 GPR119 (0.39) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL4408122 0.81 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL2705111 0.79 DPP4 (0.51) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL8269278 0.78 DPP4 (0.42) DPP4CYP3A4CYP2C19DPP8DPP9
SCHEMBL4403942 0.78 DPP4 (0.53) DPP4CYP3A4CYP2C19DPP8DPP9

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
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — 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 (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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 DPP4 1/4885CYP3A4 382/4885CYP2C19 895/4885

“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.

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