SCHEMBL7077673

SCHEMBL7077673

O=C(O)CCS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
FFAR1 O14842 1/20 0.48
HSD11B1 P28845 2/20 0.48
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP14 P50281 1/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MME P08473 1/20 0.46
CYP2A6 P11509 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL7010023 0.82 MMP2 (0.68) HTTNPSR1KDM4EFFAR1HSD11B1
SCHEMBL7010857 0.80 HSD11B1 (0.58) HTTNPSR1KDM4EHSD11B1MMP2
SCHEMBL1001018 0.79 HSD11B1 (0.69) HTTNPSR1KDM4EHSD11B1ALDH1A1
SCHEMBL1940753 0.77 HSD11B1 (0.63) HTTNPSR1KDM4EHSD11B1KMT2A
Hydrochloric Acid SCHEMBL10584023 0.77 HSD11B1 (0.67) HTTNPSR1KDM4EHSD11B1ALDH1A1
SCHEMBL11760114 0.76 HDAC3 (0.61) FFAR1MMECYP2A6
SCHEMBL11822874 0.75 FFAR1 (0.66) FFAR1MMECYP2A6
SCHEMBL2891611 0.74 CYP2A6 (0.54) HSD11B1ALDH1A1CYP2A6AKR1C3AKR1C1
SCHEMBL11758021 0.74 SMN1; SMN2 (0.67) FFAR1MMP2KMT2AALDH1A1MME
SCHEMBL5028730 0.73 CYP2A6 (0.58) HSD11B1ALDH1A1CYP2A6AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
CN-1227540-A Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity DARWIN DISCOVERY CO LTD (GB) 1999-09-01 CN 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 HTT 1532/4885NPSR1 3427/4885KDM4E 1809/4885

“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.