SCHEMBL5438170

SCHEMBL5438170

C[C@H]1CC[C@H](C(=O)N(c2sc(-c3ccc(F)c(F)c3)cc2C(=O)O)C2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
CHEK1 O14757 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 2/20 0.30
NR1I2 O75469 2/20 0.30

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
SCHEMBL5438174 1.00 CYP2E1 (0.33) CYP2E1KDM4EPOLBPRKAB2PRKAG1
SCHEMBL5434926 0.91 ALDH1A1 (0.35) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL14505508 0.91 ALDH1A1 (0.35) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL5434922 0.91 ALDH1A1 (0.35) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL5434702 0.91 HDAC1 (0.34) CYP2E1KDM4ECHEK1HDAC3HDAC1
SCHEMBL5434704 0.91 HDAC1 (0.34) CYP2E1KDM4ECHEK1HDAC3HDAC1
SCHEMBL5441475 0.88 CHEK1 (0.41) CYP2E1KDM4EPOLBCHEK1
SCHEMBL5441480 0.88 CHEK1 (0.41) CYP2E1KDM4EPOLBCHEK1
SCHEMBL5434596 0.86 JAK2 (0.34) CYP2E1KDM4ECHEK1HDAC1HDAC2
SCHEMBL5434601 0.86 JAK2 (0.34) CYP2E1KDM4ECHEK1HDAC1HDAC2

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-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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 (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-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP CYP2E1 105/4885KDM4E 2012/4885POLB 978/4885

“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.