SCHEMBL6541474

SCHEMBL6541474

COc1ccc(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL5072982 0.91 POLB (0.58) POLBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL6678463 0.89 ABCC9 (0.54) MTNR1AMTNR1BKMT2A
SCHEMBL9632174 0.87 POLB (0.57) POLBALDH1A1SMN1; SMN2
SCHEMBL6677132 0.84 HTT (0.42) ALDH1A1
SCHEMBL6680430 0.83 ALK (0.47) KMT2A
SCHEMBL6540502 0.83 ABCC9 (0.54) POLBALDH1A1KMT2A
SCHEMBL140038 0.83 SMN1; SMN2 (0.67) ALDH1A1MTNR1AMTNR1BSMN1; SMN2KMT2A
SCHEMBL6679300 0.82 NLRP3 (0.42) ALDH1A1
SCHEMBL6803966 0.81 RAB9A (0.44) POLBALDH1A1MTNR1AMTNR1BCA12
SCHEMBL6806399 0.81 CA2 (0.43) POLBALDH1A1MTNR1AMTNR1BCA12

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 POLB 1231/4885ALDH1A1 188/4885MTNR1A 245/4885

“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.