SCHEMBL6540798

SCHEMBL6540798

C[C@H](Cc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
ACACB O00763 9/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL11800550 0.92 ACACB (0.57) ACACBADRB2ADRB1ADRB3ADRA1D
SCHEMBL6541394 0.90 ABCC9 (0.44) ALDH1A1ACACBLMNAKMT2AL3MBTL1
SCHEMBL6540030 0.86 ACACB (0.47) ALDH1A1ACACBLMNAKMT2AL3MBTL1
SCHEMBL6540634 0.86 ACACB (0.47) ALDH1A1ACACBLMNAKMT2AL3MBTL1
SCHEMBL6541208 0.86 CNR1 (0.56) ALDH1A1ACACBCNR1GAA
SCHEMBL6541794 0.86 PTPN1 (0.44) ALDH1A1ACACBCNR1
SCHEMBL6541355 0.86 PTPN1 (0.46) ACACB
SCHEMBL6539930 0.85 PTPN1 (0.45) ALDH1A1LMNAADRB3CYP2C19
SCHEMBL6554558 0.84 POLB (0.54) ALDH1A1ACACBLMNAKMT2AL3MBTL1
SCHEMBL6677082 0.82 ACACB (0.50) ACACBKMT2AL3MBTL1ADRB1ADRB3

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 188/4885ACACB 3020/4885LMNA 3736/4885

“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.