SCHEMBL2711790

SCHEMBL2711790

COc1ccc2c(Cl)cc(C(F)(F)F)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 7/20 0.44
▸ IGF1R P08069 2/20 0.43
▸ MAPT P10636 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ PLK4 O00444 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ RET P07949 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ FGFR1 P11362 1/20 0.41

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
SCHEMBL2709780 0.88 NT5E (0.60) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL9830225 0.83 NT5E (0.50) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL2711168 0.83 NT5E (0.50) NT5EALDH1A1KMT2AMEN1KDM4E
SCHEMBL15665373 0.81 CYP1A2 (0.39) NT5EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL19148578 0.81 NT5E (0.48) NT5EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL288844 0.80 CYP1A2 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL29420524 0.80 CYP1A2 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9830025 0.80 NT5E (0.50) NT5EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL29029742 0.79 NT5E (0.53) NT5EIGF1RMAPTL3MBTL1ACHE
SCHEMBL859440 0.79 MAPT (0.57) ALDH1A1KMT2AMEN1CYP1A2CYP3A4

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 12 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
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 — — CN disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 — — US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 — — CN 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 NT5E 1422/4885ALDH1A1 229/4885KMT2A 2648/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NT5E 1422/4885ALDH1A1 229/4885KMT2A 2648/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 NT5E 1718/4885ALDH1A1 118/4885KMT2A 2673/4885

“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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