SCHEMBL5739271

SCHEMBL5739271

CC1(C)CCc2c(sc3cc(NS(=O)(=O)c4ccccc4)ccc3c2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
THRB P10828 1/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
BRD4 O60885 3/20 0.39
CASP3 P42574 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
HPN P05981 1/20 0.39
IMPDH2 P12268 2/20 0.39
HTR6 P50406 1/20 0.38
TRIM24 O15164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5742434 0.91 LMNA (0.45) ALDH1A1THRBPKMBRD4GPR55
SCHEMBL5741802 0.79 DRD2 (0.38) ALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL5740635 0.77 TNIK (0.41) ALDH1A1HDAC1GAAHPGDKDM4E
SCHEMBL5738947 0.74 LIMK1 (0.35)
SCHEMBL5740233 0.74 LIMK1 (0.40) ALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL5740574 0.73 PARP1 (0.39) ALDH1A1
SCHEMBL12469994 0.72 ALDH1A1 (0.53) ALDH1A1GAAHPGDKDM4EPKM
SCHEMBL5739197 0.72 LIMK1 (0.34) HPGDLMNA
SCHEMBL5741193 0.71 POLB (0.35)
SCHEMBL5740798 0.71 LIMK1 (0.33)

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 ALDH1A1 1088/4885THRB 1861/4885HDAC1 1130/4885

“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.