SCHEMBL6132404

SCHEMBL6132404

COC(=O)c1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.59
RAB9A P51151 2/20 0.56
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA12 O43570 5/20 0.54
CA9 Q16790 5/20 0.54
CA14 Q9ULX7 5/20 0.54
CXCR2 P25025 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
PTPN1 P18031 1/20 0.47
PLAU P00749 1/20 0.46
TSHR P16473 1/20 0.46
EGFR P00533 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL1928327 0.95 STS (0.65) STSRAB9ACA1CA2CA12
SCHEMBL2188550 0.91 STS (0.59) STSRAB9ACA1CA2CA12
Methylparaben SCHEMBL5481174 0.89 CA1 (0.61) STSRAB9ACA1CA2CA12
SCHEMBL15912453 0.89 PLAU (0.52) STSRAB9ACA1CA2CA12
SCHEMBL24736909 0.85 STS (0.43) STSRAB9ACA1CA2CA12
SCHEMBL30116304 0.85 STS (0.43) STSRAB9ACA1CA2CA12
SCHEMBL4194244 0.84 STS (0.62) STSCA1CA2CA12CA9
SCHEMBL3004003 0.83 STS (0.51) STSRAB9ACA1CA2CA12
SCHEMBL8087447 0.82 STS (0.54) STSRAB9ACA1CA2CA12
SCHEMBL18822400 0.82 CA12 (0.46) STSRAB9ACA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 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 (3 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 STS 189/4885RAB9A 3326/4885CA1 2356/4885
US-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 STS 281/4885RAB9A 3506/4885CA1 1819/4885
US-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 STS 390/4885RAB9A 2517/4885CA1 2327/4885

“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.