SCHEMBL4200358

SCHEMBL4200358

COC(=O)CSc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 4/20 0.45
HSD17B10 Q99714 4/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL4200404 0.84 ALDH1A1 (0.53) MAPTGAARAB9AHSD17B10ALDH1A1
SCHEMBL558168 0.81 HDAC1 (0.42) MAPTKDM4EGAARAB9AHSD17B10
SCHEMBL557373 0.81 HDAC1 (0.42) MAPTKDM4EGAARAB9AHSD17B10
SCHEMBL2012392 0.81 ALDH1A1 (0.43) MAPTKDM4EGLAGAACYP1A2
SCHEMBL7667895 0.79 MAPT (0.51) MAPTKDM4EGLAGAACYP1A2
SCHEMBL2011642 0.79 HPGD (0.52) MAPTKDM4EGLAGAACYP1A2
SCHEMBL3901459 0.78 NPC1 (0.42) MAPTKDM4EGLAGAACYP1A2
SCHEMBL4217200 0.78 HSD17B10 (0.44) MAPTKDM4EGLAGAACYP1A2
SCHEMBL4196970 0.78 HSD17B10 (0.44) MAPTKDM4EGLAGAACYP1A2
SCHEMBL19102984 0.78 ALDH1A1 (0.46) MAPTKDM4EGLAGAACYP1A2

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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 MAPT 3059/4885KDM4E 2869/4885GLA 4882/4885

“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.