SCHEMBL2708018

SCHEMBL2708018

CC(C)(C)OC(=O)N1C[C@@H](N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)C[C@H]1C(=O)N1CCSC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP4 P27487 7/20 0.45
NPC1 O15118 3/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
MITF O75030 1/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL2710752 0.94 DPP4 (0.47) RAB9AMAPTALDH1A1MEN1MAPK1
SCHEMBL2710450 0.88 NPC1 (0.49) RAB9AMAPTSMN1; SMN2DPP4NPC1
SCHEMBL2710588 0.88 DPP4 (0.48) RAB9AMAPTSMN1; SMN2DPP4NPC1
SCHEMBL2709289 0.88 MAPT (0.51) RAB9AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2709994 0.87 DPP4 (0.46) RAB9AMAPTDPP4NPC1DPP8
SCHEMBL2707234 0.87 DPP4 (0.60) RAB9AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2711735 0.86 DPP4 (0.46) RAB9AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2711530 0.86 DPP4 (0.56) RAB9AMAPTDPP4NPC1DPP8
SCHEMBL2708531 0.85 DPP4 (0.49) MAPTALDH1A1SMN1; SMN2DPP4DPP8
SCHEMBL2709697 0.84 DPP4 (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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 (3 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 RAB9A 3301/4885MAPT 3343/4885ALDH1A1 229/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 RAB9A 3301/4885MAPT 3343/4885ALDH1A1 229/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 RAB9A 3567/4885MAPT 3585/4885ALDH1A1 118/4885

“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.