SCHEMBL6291104

SCHEMBL6291104

O=S(=O)(Cl)c1ccccc1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV4 Q9HBA0 1/20 0.35
NFE2L2 Q16236 8/20 0.34
KAT6A Q92794 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AKR1B1 P15121 1/20 0.34
KCNA5 P22460 1/20 0.34
SLC22A12 Q96S37 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
SCHEMBL7127239 0.87 ALDH1A1 (0.48) ALDH1A1HSD17B10TDP1PTPRCMEN1
SCHEMBL7333015 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1PTPRCPTPN1
SCHEMBL27488196 0.84 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1PTPRCPTPN1
SCHEMBL1711745 0.83 FABP4 (0.42) ALDH1A1HSD17B10TDP1PTPN1
SCHEMBL14956305 0.83 GAA (0.43) PTPRCPTPN1MEN1MAPTKMT2A
SCHEMBL30605911 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1KMT2ANFE2L2
SCHEMBL16412 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1KMT2ANFE2L2
SCHEMBL31716967 0.81 ELANE (0.44) ALDH1A1PTPRCPTPN1MAPTKMT2A
SCHEMBL2010583 0.81 PTPRC (0.43) ALDH1A1HSD17B10TDP1PTPRCKAT6A
SCHEMBL5831677 0.79 ALOX5AP (0.48) ALDH1A1PTPRCPTPN1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-6949545-B2 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-09-27 US disclosed
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2004-07-01 US disclosed
US-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US disclosed
EP-1265864-A1 HETEROCYCLIC SIDE CHAIN CONTAINING, N-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP disclosed
WO-2001070691-A1 HETEROCYCLIC SIDE CHAIN CONTAINING, N-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-09-27 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-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 ALDH1A1 525/4885HSD17B10 764/4885TDP1 2270/4885
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B ALDH1A1 838/4885HSD17B10 4675/4885TDP1 4546/4885
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 ALDH1A1 525/4885HSD17B10 764/4885TDP1 2270/4885

“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.