SCHEMBL4098649

SCHEMBL4098649

CCOC(=O)C(C)(CSCc1ccccc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.57
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
METAP2 P50579 1/20 0.45
PIN1 Q13526 1/20 0.45
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
PPID Q08752 1/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
THRB P10828 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
SCHEMBL8233844 0.94 MMP8 (0.55) MMP8NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9204947 0.87 MMP8 (0.49) MMP8NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8233122 0.84 CYP2C19 (0.45) MMP8SMN1; SMN2RAB9AALDH1A1CYP2C19
SCHEMBL9400007 0.81 NPC1 (0.46) MMP8NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL13696279 0.81 MMP8 (0.44) MMP8NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9788141 0.80 SMN1; SMN2 (0.45) MMP8NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL13696272 0.79 CYP2C19 (0.49) NPC1SMN1; SMN2RAB9AALDH1A1CYP2C19
SCHEMBL8710582 0.79 MMP8 (0.79) MMP8SMN1; SMN2ALDH1A1RECQLPIN1
SCHEMBL8233124 0.79 PPARG (0.45) MMP8SMN1; SMN2RAB9AALDH1A1CYP2C19
SCHEMBL9712251 0.78 MMP8 (0.52) MMP8NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MMP8 2046/4885NPC1 3113/4885SMN1; SMN2 4216/4885

“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.