SCHEMBL6540876

SCHEMBL6540876

COC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(CCNC(=O)C(F)(F)F)cc3)cc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
BCL2L1 Q07817 2/20 0.40
MCL1 Q07820 2/20 0.40
CNR2 P34972 1/20 0.40
SDHB P21912 1/20 0.39
NAMPT P43490 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
PDK2 Q15119 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL6540228 0.90 MCHR1 (0.43) CA12CA1CA2CA9NAMPT
SCHEMBL6678585 0.80 SYK (0.39) CA2NAMPT
SCHEMBL6541141 0.79 NLRP3 (0.49) NAMPTNLRP3ALDH1A1
SCHEMBL6809919 0.77 ACACB (0.45) CA2BCL2L1MCL1
SCHEMBL6540276 0.76 CA1 (0.55) CA12CA1CA2CA9PDK2
SCHEMBL6540889 0.76 CA1 (0.40) CA12CA1CA2CA9PDK2
SCHEMBL6540140 0.76 SMN1; SMN2 (0.46) CA12CA1CA2CA9BCL2L1
SCHEMBL6541568 0.75 CA2 (0.45) CA2BCL2L1MCL1ALDH1A1MAPT
SCHEMBL6680430 0.73 ALK (0.47) NAMPTNLRP3
SCHEMBL6541199 0.73 CA1 (0.40) CA1CA2CA9NLRP3ALDH1A1

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 CA12 4283/4885CA1 4181/4885CA2 2242/4885

“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.