Sugi Predict

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SCHEMBL4424510

SCHEMBL4424510

O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.52
▸ ATM Q13315 1/20 0.49
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ VHL P40337 1/20 0.45
▸ FFAR2 O15552 3/20 0.45
▸ POLB P06746 2/20 0.43
▸ SLC6A7 Q99884 2/20 0.43
▸ P2RY12 Q9H244 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FASN P49327 1/20 0.42

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
SCHEMBL10469223 0.91 PIK3CD (0.61) PIK3CDATMACEVHLMEN1
SCHEMBL9028110 0.91 PIK3CD (0.61) PIK3CDATMACEVHLMEN1
SCHEMBL2459843 0.91 PIK3CD (0.61) PIK3CDATMACEVHLMEN1
SCHEMBL9028119 0.91 PIK3CD (0.61) PIK3CDATMACEVHLMEN1
SCHEMBL24314080 0.86 FFAR2 (0.50) PIK3CDATMVHLFFAR2SLC6A7
SCHEMBL5477136 0.86 FFAR2 (0.50) PIK3CDATMVHLFFAR2SLC6A7
SCHEMBL19270360 0.86 FFAR2 (0.50) PIK3CDATMVHLFFAR2SLC6A7
SCHEMBL29449381 0.86 FFAR2 (0.50) PIK3CDATMVHLFFAR2SLC6A7
SCHEMBL8343803 0.85 KMT2A (0.53) PIK3CDVHLPOLBSMN1; SMN2MEN1
SCHEMBL9310210 0.84 ATM (0.50) PIK3CDATMPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 — — EP disclosed
EP-1725526-B1 METHOD FOR PREPARING PYRROLIDINE OXIMES SERONO LAB (CH) 2007-12-12 — — EP disclosed
US-20070197794-A1 Method for preparing pyrrolidine oximes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-23 — — US disclosed
US-7115754-B2 Pyrrolidine derivatives as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 — — US disclosed
US-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists MERCK SERONO SA (CH) 2006-01-05 — — US disclosed
EP-1532109-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 — — EP disclosed
WO-2004005249-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-15 — — WO 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-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists OXTR, PRLHR, AVPR1A PIK3CD 4089/4885ATM 3885/4885HPGD 292/4885
US-20070197794-A1 Method for preparing pyrrolidine oximes PPOX, PGF, OXTR PIK3CD 4101/4885ATM 4702/4885HPGD 34/4885

“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.