SCHEMBL3196017

SCHEMBL3196017

COc1ccc(CS[C@@H]2CN[C@H](C(=O)O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.40
GRIA2 P42262 1/20 0.40
CYP2D6 P10635 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.39
LDHA P00338 1/20 0.39
EPHX1 P07099 1/20 0.39
IDO1 P14902 1/20 0.38
FFAR1 O14842 1/20 0.38
CTSC P53634 1/20 0.38

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
SCHEMBL7143288 1.00 GRIK1 (0.40) GRIK1GRIA2CYP2D6SMN1; SMN2LMNA
SCHEMBL5285064 1.00 GRIK1 (0.40) GRIK1GRIA2CYP2D6SMN1; SMN2LMNA
SCHEMBL9206135 0.89 IDO1 (0.43) CYP2D6SMN1; SMN2LMNAMAPK1HIF1A
Hydrochloric Acid SCHEMBL8435810 0.88 IDO1 (0.45) CYP2D6SMN1; SMN2LMNAMAPK1HIF1A
SCHEMBL6949068 0.85 KMT2A (0.41) CYP2D6SMN1; SMN2LMNAMAPK1HIF1A
SCHEMBL4864246 0.85 KMT2A (0.40) GRIK1GRIA2CYP2D6CYP2C19KMT2A
SCHEMBL5513558 0.84 HTR2C (0.43) KMT2AEPHX1
SCHEMBL13481773 0.84 CTSC (0.47) GRIK1GRIA2CYP2D6HIF1ACYP2C19
SCHEMBL3184417 0.84 CTSC (0.47) GRIK1GRIA2CYP2D6HIF1ACYP2C19
SCHEMBL7763253 0.84 CTSC (0.47) GRIK1GRIA2CYP2D6HIF1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558246-B1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LTD (GB) 2010-05-19 EP disclosed
US-7659305-B2 4-carbo- or heterocyclic alkyl-, oxy-, amino-, and thio-substituted; e.g., 2S, 4S)-4-(3-Chloro-phenoxy)-pyrrolidine-2-carboxylic acid; controlling neurotransmitter release; uses include general treatment of pain, particularly neuropathic pain. PFIZER INC. (US) 2010-02-09 US disclosed
EP-1558246-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT Pfizer Limited (GB) 2005-08-03 EP disclosed
US-20040132801-A1 Therapeutic proline derivatives RAWSON DAVID JAMES (GB) 2004-07-08 US disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 WO disclosed
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
US-5420119-A Bactericides SANKYO COMPANY, LIMITED (JP) 1995-05-30 US disclosed
US-5310735-A Carbapenem derivatives having antibiotic activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1994-05-10 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 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-20040132801-A1 Therapeutic proline derivatives PRRC2C, SLC6A7, FAAH GRIK1 449/4885GRIA2 1499/4885CYP2D6 174/4885

“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.