SCHEMBL4077487

SCHEMBL4077487

CC(C)CCN(O)C(=O)CCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.49
KDM4A O75164 3/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM5A P29375 1/20 0.45
PHF8 Q9UPP1 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL4085934 0.82 ALOX5 (0.57) ALOX5KDM4AKDM4CKDM5APHF8
SCHEMBL203277 0.76 MEN1 (0.50) MEN1KMT2ANPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL18342467 0.75 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL18342469 0.75 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL7747809 0.73 ALDH1A1 (0.55) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL13434141 0.73 ALDH1A1 (0.56) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL30785328 0.71 LPAR1 (0.44) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL30785333 0.71 MEN1 (0.46) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL9835783 0.71 ALOX5 (0.67) ALOX5KDM4AKDM4CKDM5APHF8
SCHEMBL6998369 0.71 LMNA (0.53) MEN1KMT2ANPC1RAB9ALMNA

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-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 ALOX5 4361/4885KDM4A 4324/4885KDM4C 3871/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB ALOX5 2810/4885KDM4A 4653/4885KDM4C 4585/4885

“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.