SCHEMBL6692212

SCHEMBL6692212

Cc1cc(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
POLB P06746 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SFRP1 Q8N474 1/20 0.37
MLYCD O95822 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL6540407 0.93 CA1 (0.47) ESRRGCA1CA2ALDH1A1CA12
SCHEMBL6806399 0.90 CA2 (0.43) CA1CA2POLBMTNR1AMTNR1B
SCHEMBL6805570 0.86 CA1 (0.47) CA1CA2POLBEPHX2ALDH1A1
SCHEMBL6677132 0.86 HTT (0.42) ALDH1A1HPGD
SCHEMBL6678475 0.85 ALDH1A1 (0.42) CA1CA2POLBEPHX2ALDH1A1
SCHEMBL6803966 0.85 RAB9A (0.44) CA1CA2POLBMTNR1AMTNR1B
SCHEMBL6681831 0.83 POLB (0.39) CA1CA2POLBEPHX2ALDH1A1
SCHEMBL6682110 0.83 KMT2A (0.39) CA1CA2POLBALDH1A1SMN1; SMN2
SCHEMBL6676661 0.82 MTNR1A (0.43) CA1CA2POLBMTNR1AMTNR1B
SCHEMBL6540877 0.82 CA1 (0.50) CA1CA2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ESRRG 3469/4885CA1 2450/4885CA2 696/4885

“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.