SCHEMBL6540377

SCHEMBL6540377

NCCc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
MCL1 Q07820 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.41
MAP4K4 O95819 1/20 0.40
PTPN7 P35236 1/20 0.40
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
SOS1 Q07889 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALOX15 P16050 1/20 0.39
MMP2 P08253 2/20 0.38
MMP1 P03956 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
SCHEMBL6540536 0.81 PKM (0.53) ALDH1A1GAASOS1MMP2MMP1
SCHEMBL6554041 0.81 PKM (0.46) ALDH1A1GAANPSR1IDO1SOS1
SCHEMBL6540943 0.80 ALDH1A1 (0.73) ALDH1A1GAANPSR1TBXA2RTBXAS1
SCHEMBL6540852 0.80 ALDH1A1 (0.51) ALDH1A1GAAIDO1TBXA2RTBXAS1
SCHEMBL10339161 0.78 ALDH1A1 (1.00) ALDH1A1GAANPSR1IDO1PTPN7
SCHEMBL6540527 0.78 TDP1 (0.51) ALDH1A1PTGDR2
SCHEMBL6540717 0.74 ADRB3 (0.68)
SCHEMBL6540721 0.74 ADRB3 (0.68)
SCHEMBL1809416 0.72 TAAR1 (0.44) ALDH1A1IDO1SOS1ALOX15
SCHEMBL6001984 0.72 ALDH1A1 (0.86) ALDH1A1GAANPSR1IDO1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ALDH1A1 188/4885MCL1 4643/4885GAA 3888/4885

“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.