SCHEMBL646469

SCHEMBL646469

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
MCL1 Q07820 2/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
APP P05067 1/20 0.41
PTGER1 P34995 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 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
SCHEMBL645349 0.91 TRPM8 (0.42) MCL1ALDH1A1ALOX5TRPM8APP
SCHEMBL645205 0.90 ALDH1A1 (0.43) ALDH1A1ALOX5KDM4EAPPLMNA
SCHEMBL645718 0.83 EPHB3 (0.48) ALDH1A1KDM4EPOLBL3MBTL1LMNA
SCHEMBL10315881 0.79 KDM4E (0.52) ALDH1A1KDM4EPOLBHTT
SCHEMBL10212611 0.79 PPIA (0.39) ALDH1A1KDM4ETRPM8LMNAHTT
SCHEMBL3769865 0.79 LTB4R (0.53) FOLH1MCL1ALDH1A1ALOX5KDM4E
SCHEMBL31454295 0.77 GAA (0.46) ALDH1A1APPPTGER1LMNAHTT
SCHEMBL3239000 0.74 LTB4R (0.51) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL24983867 0.74 FOLH1 (0.65) FOLH1MCL1ALDH1A1KDM4EPOLB
SCHEMBL30892473 0.74 FOLH1 (0.65) FOLH1MCL1ALDH1A1KDM4EPOLB

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 7 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
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP disclosed
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP 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 FOLH1 4718/4885MCL1 476/4885ALDH1A1 1671/4885
US-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 FOLH1 4785/4885MCL1 375/4885ALDH1A1 1580/4885

“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.