SCHEMBL4097392

SCHEMBL4097392

C[C@@](N)(CSCc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PRMT1 Q99873 1/20 0.42
IDO1 P14902 3/20 0.42
MAPT P10636 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.41
EPHX1 P07099 3/20 0.40
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL4097397 1.00 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL4105009 1.00 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL4099598 0.98 CYP2C19 (0.45) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL4099595 0.98 CYP2C19 (0.45) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
Cadaverine Tartrate SCHEMBL4092184 0.91 METAP2 (0.40) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL4092217 0.88 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL4099299 0.88 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL4092212 0.88 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL13696271 0.87 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL4106419 0.87 NOS1 (0.46) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US claimed
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP claimed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO claimed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 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 (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-20090221640-A1 Novel Crystal Modifications PTMS, NT5C, CDK5 CYP2C19 872/4885SMN1; SMN2 4216/4885ALDH1A1 1028/4885

“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.