Sugi Predict

Sugi Predict / Compounds / SCHEMBL339964

SCHEMBL339964

SCHEMBL339964

NCc1cc2ncc(C(=O)N3CCSCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.41
▸ DPP8 Q6V1X1 5/20 0.41
▸ DPP9 Q86TI2 4/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ALPL P05186 5/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ TGFBR2 P37173 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
SCHEMBL338672 0.89 DPP4 (0.49) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL339770 0.89 PIK3CA (0.44) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL339827 0.89 DPP4 (0.43) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL339904 0.89 ALPL (0.46) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL1911458 0.88 DPP4 (0.41) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL340135 0.87 DPP4 (0.42) DPP4DPP8DPP9CNR1ALPL
SCHEMBL340178 0.86 DPP4 (0.42) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL340329 0.85 KDM4E (0.45) DPP4DPP8NPC1HSD17B10MEN1
SCHEMBL339040 0.85 DPP4 (0.53) DPP4DPP8DPP9ALDH1A1ALPL
SCHEMBL339484 0.85 TSHR (0.45) DPP4DPP8DPP9RAB9AHPGD

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-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-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 — — 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
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 — — 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.