SCHEMBL6539832

SCHEMBL6539832

CC(C)(Cc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 1/20 0.42
PTPN1 P18031 5/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ACACB O00763 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.39
MMP1 P03956 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 3/20 0.39

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
SCHEMBL6541332 0.86 CXCR2 (0.39) ALDH1A1ACACBKMT2AMMP1MMP9
SCHEMBL6540139 0.86 HSD11B1 (0.50) GAAMMP1MMP9MMP13
SCHEMBL6540818 0.82 MEN1 (0.46) ALDH1A1GAAKMT2A
SCHEMBL6540947 0.79 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GAANPSR1TBXA2R
SCHEMBL6540798 0.79 ALDH1A1 (0.56) ALDH1A1GAANPSR1TBXA2RTBXAS1
SCHEMBL6540200 0.77 KMT2A (0.46) SMN1; SMN2GAALMNAKMT2A
SCHEMBL6540103 0.76 ALDH1A1 (0.41) ALDH1A1ACACBKMT2AMMP1MMP9
SCHEMBL6540374 0.76 AKR1C3 (0.42) KMT2A
SCHEMBL10339161 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2GAANPSR1TBXA2R
SCHEMBL9765252 0.74 TBXA2R (0.48) ALDH1A1SMN1; SMN2GAATBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ALDH1A1 188/4885SMN1; SMN2 2146/4885GAA 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.