SCHEMBL18487588

SCHEMBL18487588

CC(C)(C)OC(=O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.50
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP14 P50281 2/20 0.45
ADAM17 P78536 2/20 0.45
MMP1 P03956 1/20 0.45
PPARA Q07869 1/20 0.44
STS P08842 2/20 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
SCHEMBL7993192 0.96 KIF11 (0.48) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL20047462 0.90 PPARA (0.47) MMP2MMP9MMP1PPARASTS
SCHEMBL26282685 0.87 FFAR4 (0.54) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL29098422 0.85 FFAR4 (0.52) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL27802292 0.84 FBP1 (0.52) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7378889 0.84 STS (0.58) MMP2MMP9MMP1STSCA12
SCHEMBL1952655 0.82 MMP1 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL19627393 0.82 FFAR4 (0.52) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL19629737 0.82 SMN1; SMN2 (0.56) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL497667 0.80 NFKB1 (0.53) MMP2MMP9MMP1CA1CA2

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-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-10-22 US disclosed
WO-2017024229-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS ICAHN SCHOOL OF MEDECINE AT MOUNT SINAI (US) 2017-02-09 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-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols DDT, ODC1, CBR1 FFAR4 2726/4885HDAC1 1732/4885HDAC8 3731/4885

“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.