SCHEMBL17847645

SCHEMBL17847645

Cc1cccc2oc(=O)cc(OS(=O)(=O)C(F)(F)F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
STS P08842 2/20 0.36
MAPT P10636 3/20 0.36
ELANE P08246 1/20 0.35
ALPL P05186 1/20 0.35
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL4929225 0.89 ALDH1A1 (0.43) ALDH1A1LMNACA2CA1CA5A
SCHEMBL12986005 0.79 KCNA3 (0.51) ALDH1A1CA1CA9KMT2AKCNA3
SCHEMBL31485737 0.76 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EGAAHSD17B10
SCHEMBL31710846 0.76 CA2 (0.43) ALDH1A1LMNASMN1; SMN2CA2CA1
SCHEMBL759113 0.76 CA2 (0.43) ALDH1A1LMNASMN1; SMN2CA2CA1
SCHEMBL19770522 0.75 CNR2 (0.41) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL29209053 0.74 KDM4E (0.49) ALDH1A1LMNASMN1; SMN2CA2CA1
SCHEMBL14773145 0.74 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EGAAHSD17B10
SCHEMBL8464810 0.73 CYP2A6 (0.56) ALDH1A1LMNACA2CA1CA5A
SCHEMBL4922942 0.73 ALPL (0.44) ALDH1A1LMNACA2CA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 US disclosed
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233826-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 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 (2 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-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC ALDH1A1 3914/4885LMNA 3985/4885SMN1; SMN2 4549/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC ALDH1A1 3914/4885LMNA 3985/4885SMN1; SMN2 4549/4885

“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.