SCHEMBL2059307

SCHEMBL2059307

Cc1ccccc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.65
ITGB1 P05556 3/20 0.55
ITGA5 P08648 3/20 0.55
ATM Q13315 1/20 0.51
HTT P42858 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA4 P13612 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
TP53 P04637 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ACE P12821 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19475011 0.84 ATM (0.49) PIK3CDITGB1ITGA5ATMHTT
SCHEMBL10470158 0.83 ATM (0.47) PIK3CDATMALDH1A1ACE
SCHEMBL19710595 0.82 PIK3CD (0.68) PIK3CDITGB1ITGA5HTTCYP2C9
SCHEMBL2459843 0.80 PIK3CD (0.61) PIK3CDATMACE
SCHEMBL10469223 0.80 PIK3CD (0.61) PIK3CDATMACE
SCHEMBL9028110 0.80 PIK3CD (0.61) PIK3CDATMACE
SCHEMBL9028119 0.80 PIK3CD (0.61) PIK3CDATMACE
SCHEMBL11638150 0.80 KDM4E (0.49) PIK3CDATMITGB3CYP2C9ALDH1A1
SCHEMBL24314080 0.79 FFAR2 (0.50) PIK3CDATM
SCHEMBL5477136 0.79 FFAR2 (0.50) PIK3CDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
EP-2058301-A1 PYRROLIDINE ANALOGUE FOR PREVENTING NEUROGENIC PAIN AND METHOD FOR PRODUCTION THEREOF Gifu University (JP) 2009-05-13 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 (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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 PIK3CD 4242/4885ITGB1 4868/4885ITGA5 4817/4885

“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.