SCHEMBL6678034

SCHEMBL6678034

COCOc1cc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NLRP3 Q96P20 1/20 0.38
RAB9A P51151 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CA9 Q16790 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
STS P08842 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL6676661 0.94 MTNR1A (0.43) CA1CA2MTNR1AMTNR1B
SCHEMBL6540879 0.89 USP2 (0.47) CA1CA2USP2TSHRLMNA
SCHEMBL6682542 0.88 MTNR1A (0.39) CA1CA2USP2TSHRALDH1A1
SCHEMBL6805239 0.86 TSHR (0.38) CA1CA2USP2TSHRNLRP3
SCHEMBL6677713 0.85 CA1 (0.43) CA1CA2USP2TSHRLMNA
SCHEMBL6805839 0.85 CA12 (0.41) CA1CA2NPSR1ALDH1A1RAB9A
SCHEMBL6805809 0.85 MEN1 (0.44) LMNAALDH1A1MTNR1AMTNR1B
SCHEMBL6541135 0.83 TSHR (0.50) CA1CA2USP2TSHRLMNA
SCHEMBL6540877 0.82 CA1 (0.50) CA1CA2LMNAALDH1A1CA9
SCHEMBL6540407 0.82 CA1 (0.47) CA1CA2ALDH1A1CA9CA7

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 CA1 2450/4885CA2 696/4885USP2 510/4885

“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.