SCHEMBL5740287

SCHEMBL5740287

CCC1CCc2c(sc3cc(-c4ccsc4C=O)ccc3c2=O)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
AIP O00170 1/20 0.32
SGTA O43765 1/20 0.32
TOMM70 O94826 1/20 0.32
STIP1 P31948 1/20 0.32
PPP5C P53041 1/20 0.32
DNAJC7 Q99615 1/20 0.32
STUB1 Q9UNE7 1/20 0.32
GAA P10253 1/20 0.32
TNIK Q9UKE5 1/20 0.32
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 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
SCHEMBL5741596 0.83 MAPT (0.34) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5740604 0.80 PRF1 (0.36) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5740417 0.80 TNIK (0.34) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5740727 0.80 KIF11 (0.40) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5739488 0.79 MAPT (0.38) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5738978 0.79 TNIK (0.41) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5741517 0.79 ALDH1A1 (0.34) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5741212 0.79 TNIK (0.37) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5741298 0.79 BRD4 (0.39) KIF11MAPTALDH1A1HPGDAIP
SCHEMBL5739724 0.78 LIMK1 (0.41) MAPTALDH1A1HPGDGAATNIK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA KIF11 2553/4885MAPT 29/4885ALDH1A1 1088/4885

“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.