SCHEMBL5740408

SCHEMBL5740408

CC1(C)CCc2c(sc3cc(CO)ccc3c2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 3/20 0.35
GPR55 Q9Y2T6 3/20 0.35
S1PR1 P21453 4/20 0.33
KIF11 P52732 1/20 0.33
LIMK1 P53667 1/20 0.33
ESR1 P03372 5/20 0.33
ESR2 Q92731 5/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
S1PR3 Q99500 2/20 0.32
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 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
SCHEMBL5740798 0.88 LIMK1 (0.33) SLC34A2S1PR1KIF11LIMK1CACNA1G
SCHEMBL5740285 0.87 CYP26A1 (0.40) SLC34A2S1PR1KIF11CACNA1GCACNA1H
SCHEMBL5739244 0.85 L3MBTL1 (0.33) SLC34A2KIF11LIMK1
SCHEMBL5740233 0.81 LIMK1 (0.40) KIF11LIMK1ESR1ESR2PDE4B
SCHEMBL5738947 0.81 LIMK1 (0.35) KIF11LIMK1ESR1ESR2CACNA1G
SCHEMBL5741839 0.81 RXRA (0.37) SLC34A2KIF11LIMK1PDE4BPDE4D
SCHEMBL6508440 0.80 KIF11 (0.34) SLC34A2S1PR1KIF11PDE4BPDE4D
SCHEMBL5741193 0.78 POLB (0.35) LIMK1
SCHEMBL5741841 0.78 FABP4 (0.33) SLC34A2S1PR1KIF11LIMK1PDE4B
SCHEMBL5741506 0.78 RAB9A (0.38) KIF11

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 SLC34A2 2985/4885GPR55 1502/4885S1PR1 1818/4885

“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.