SCHEMBL5434601

SCHEMBL5434601

CC1CCC(C(=O)N(c2sc(-c3ccc(F)cc3F)cc2C(=O)O)C2CCOCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
CHEK1 O14757 2/20 0.33
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
TTR P02766 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DHFR P00374 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
HMGB1 P09429 1/20 0.32
HPGD P15428 1/20 0.32
CXCL12 P48061 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL5434596 1.00 JAK2 (0.34) JAK2CHEK1HSD17B1HSD17B2TTR
SCHEMBL5434301 0.91 JAK2 (0.35) JAK2CHEK1HSD17B1HSD17B2KDM4E
SCHEMBL14505513 0.91 JAK2 (0.35) JAK2CHEK1HSD17B1HSD17B2KDM4E
SCHEMBL5434298 0.91 JAK2 (0.35) JAK2CHEK1HSD17B1HSD17B2KDM4E
SCHEMBL5434702 0.88 HDAC1 (0.34) JAK2CHEK1KDM4EMEN1KMT2A
SCHEMBL5434704 0.88 HDAC1 (0.34) JAK2CHEK1KDM4EMEN1KMT2A
SCHEMBL5727937 0.88 ACKR3 (0.32) ACKR3RIPK1OPRM1HDAC1HDAC2
SCHEMBL5438170 0.86 CYP2E1 (0.33) CHEK1KDM4ECYP2E1HDAC1HDAC2
SCHEMBL5438174 0.86 CYP2E1 (0.33) CHEK1KDM4ECYP2E1HDAC1HDAC2
SCHEMBL5728400 0.84 ACKR3 (0.32) JAK2ACKR3HDAC1HDAC2

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 JAK2 554/4885CHEK1 2578/4885HSD17B1 2439/4885

“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.