SCHEMBL4085934

SCHEMBL4085934

CCCCN(O)C(=O)CCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.57
KDM4A O75164 3/20 0.50
KDM4C Q9H3R0 3/20 0.50
HDAC6 Q9UBN7 1/20 0.49
KDM5A P29375 1/20 0.49
PHF8 Q9UPP1 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
LTB4R2 Q9NPC1 3/20 0.48
CNR2 P34972 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL1753870 0.85 HDAC6 (0.58) HDAC6LTB4R2CNR2LMNAPKM
SCHEMBL9834381 0.84 ALOX5 (0.77) ALOX5KDM4AKDM4CHDAC6KDM5A
SCHEMBL14553382 0.82 ALOX5 (0.79) ALOX5KDM4AKDM4CKDM5APHF8
SCHEMBL4077487 0.82 ALOX5 (0.49) ALOX5KDM4AKDM4CKDM5APHF8
SCHEMBL9836200 0.79 ALOX5 (0.74) ALOX5KDM4AKDM4CHDAC6KDM5A
SCHEMBL14229453 0.79 LTB4R2 (0.62) HDAC6LTB4R2CNR2LMNAPKM
SCHEMBL15546987 0.79 CNR2 (0.64) HDAC6LTB4R2CNR2LMNAPKM
SCHEMBL8773510 0.79 CNR2 (0.64) HDAC6LTB4R2CNR2LMNAPKM
SCHEMBL9833716 0.78 ALOX5 (0.72) ALOX5KDM4AKDM4CKDM5APHF8
SCHEMBL9836494 0.78 ALOX5 (0.72) ALOX5KDM4AKDM4CKDM5APHF8

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.