SCHEMBL4125056

SCHEMBL4125056

CCCCCOc1ccc(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.78
PTPN11 Q06124 5/20 0.59
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
LMNA P02545 2/20 0.50
WDR5 P61964 3/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
THRA P10827 1/20 0.46

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
SCHEMBL4130038 0.96 S1PR3 (0.71) S1PR3PTPN11PTPN1PTPN6LMNA
SCHEMBL6630953 0.92 S1PR3 (0.65) S1PR3PTPN11PTPN1PTPN6LMNA
SCHEMBL7029380 0.88 S1PR3 (1.00) S1PR3PTPN11PTPN1PTPN6LMNA
SCHEMBL6528344 0.86 S1PR3 (0.79) S1PR3PTPN11PTPN1PTPN6LMNA
SCHEMBL2574654 0.85 S1PR3 (0.57) S1PR3LMNAWDR5ALDH1A1ADRA2A
SCHEMBL4421524 0.84 S1PR3 (0.56) S1PR3PTPN11LMNAWDR5ALDH1A1
SCHEMBL6630656 0.83 S1PR3 (0.55) S1PR3LMNAWDR5MEN1NR1I2
SCHEMBL5179978 0.83 S1PR3 (0.55) S1PR3PTPN11LMNAWDR5PTGDR2
SCHEMBL6630509 0.82 S1PR3 (0.54) S1PR3PTPN11PTPN1PTPN6LMNA
SCHEMBL3873094 0.81 SLC6A9 (0.56) S1PR3LMNAPTGDR2

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-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 S1PR3 1473/4885PTPN11 1850/4885PTPN1 2209/4885

“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.