SCHEMBL5370569

SCHEMBL5370569

CCCCCCCCCCCCCCCCOc1ccc2c(c1)s/c(=N/N=C(C)C)n2CCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PLA2G2A P14555 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
TSHR P16473 1/20 0.34
FAAH O00519 6/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL5294128 1.00 S1PR1 (0.39) S1PR1NPSR1ALDH1A1MAPTRXFP1
SCHEMBL4613924 0.89 S1PR1 (0.44) S1PR1NPSR1ALDH1A1MAPTRXFP1
SCHEMBL4613923 0.89 S1PR1 (0.44) S1PR1NPSR1ALDH1A1MAPTRXFP1
SCHEMBL11316119 0.88 S1PR1 (0.43) S1PR1NPSR1ALDH1A1MAPTRXFP1
SCHEMBL5277645 0.86 ALDH1A1 (0.45) NPSR1ALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL11320819 0.81 S1PR1 (0.43) S1PR1ALDH1A1MAPTPLA2G2ASMN1; SMN2
SCHEMBL11316106 0.81 CNR2 (0.50) S1PR1SMN1; SMN2HPGDCNR2CNR1
SCHEMBL4621389 0.74 ALDH1A1 (0.46) NPSR1ALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL5278253 0.72 CNR1 (0.55) NPSR1ALDH1A1MAPTSMN1; SMN2CNR2
SCHEMBL4796779 0.70 LMNA (0.42) S1PR1NPSR1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US disclosed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 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-20060070190-A1 Means and method for dyeing keratin fibres KRT18, KLK5, KIT S1PR1 3958/4885NPSR1 2071/4885ALDH1A1 454/4885

“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.