SCHEMBL645205

SCHEMBL645205

CCCN(C)S(=O)(=O)c1cc(C(=O)OC)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APP P05067 1/20 0.43
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN6 P29350 2/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
AR P10275 1/20 0.40
ESRRA P11474 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP19A1 P11511 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN11 Q06124 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL646469 0.90 FOLH1 (0.45) ALDH1A1KDM4EAPPLMNAHTT
SCHEMBL645349 0.88 TRPM8 (0.42) ALDH1A1APPLMNAHTTALOX5
SCHEMBL645718 0.83 EPHB3 (0.48) ALDH1A1KDM4ELMNAHPGDCYP19A1
SCHEMBL10170560 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRMAPK1HSD17B10
SCHEMBL10212611 0.79 PPIA (0.39) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL24983869 0.77 LMNA (0.56) KDM4ELMNAHPGDFFAR4
SCHEMBL3766462 0.76 LTB4R (0.46) ALDH1A1KDM4ETSHRMAPK1APP
SCHEMBL7090289 0.74 ALDH1A1 (0.53) ALDH1A1MAPK1
SCHEMBL1646583 0.74 LRRK2 (0.64) ALDH1A1KDM4ETSHRAPPPTPN2
SCHEMBL21327288 0.74 LMNA (0.52) LMNAHPGDFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US claimed
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US 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 (2 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1671/4885KDM4E 3739/4885TSHR 1454/4885
US-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 ALDH1A1 1580/4885KDM4E 3777/4885TSHR 1164/4885

“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.