SCHEMBL5434704

SCHEMBL5434704

CC1CCC(C(=O)N(c2sc(-c3ccc(F)cc3)cc2C(=O)O)C2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC3 O15379 1/20 0.34
CHEK1 O14757 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
IKBKB O14920 3/20 0.32
JAK2 O60674 2/20 0.32
MEN1 O00255 1/20 0.32
EIF2AK2 P19525 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP2E1 P05181 1/20 0.32
ABCC1 P33527 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5434702 1.00 HDAC1 (0.34) HDAC1HDAC2HDAC3CHEK1CNR1
SCHEMBL5441480 0.91 CHEK1 (0.41) CHEK1IKBKBMEN1KMT2ACYP2E1
SCHEMBL5441475 0.91 CHEK1 (0.41) CHEK1IKBKBMEN1KMT2ACYP2E1
SCHEMBL5432096 0.91 IKBKB (0.40) HDAC1HDAC2HDAC3CNR1CNR2
SCHEMBL5438174 0.91 CYP2E1 (0.33) HDAC1HDAC2HDAC3CHEK1CYP2E1
SCHEMBL5438170 0.91 CYP2E1 (0.33) HDAC1HDAC2HDAC3CHEK1CYP2E1
SCHEMBL5432100 0.91 IKBKB (0.40) HDAC1HDAC2HDAC3CNR1CNR2
SCHEMBL5434601 0.88 JAK2 (0.34) HDAC1HDAC2CHEK1JAK2MEN1
SCHEMBL5434596 0.88 JAK2 (0.34) HDAC1HDAC2CHEK1JAK2MEN1
SCHEMBL5728494 0.87 HDAC1 (0.33) HDAC1HDAC2HDAC3CNR1CNR2

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 1 patent. 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

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 HDAC1 3207/4885HDAC2 3146/4885HDAC3 2588/4885

“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.