SCHEMBL6575894

SCHEMBL6575894

O=C(c1ccccc1)c1ccc(SCC(CCCN2C(=O)c3ccccc3C2=O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MMP2 P08253 10/20 0.44
MMP9 P14780 10/20 0.44
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 4/20 0.41

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
SCHEMBL7073275 0.86 MMP2 (0.39) SMN1; SMN2NPC1RAB9AMMP2MMP9
SCHEMBL7073583 0.84 MMP2 (0.56) CYP1A2CYP2D6CYP2C19NPC1RAB9A
SCHEMBL7224275 0.81 MMP2 (0.54) CYP1A2CYP2D6CYP2C19SMN1; SMN2NPC1
SCHEMBL9219366 0.80 MMP2 (0.55) CYP1A2CYP2D6CYP2C19SMN1; SMN2RAB9A
SCHEMBL6578094 0.79 MMP2 (0.65) SMN1; SMN2MMP2MMP9MMP3MMP13
SCHEMBL7077527 0.78 MMP2 (0.60) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL7073562 0.78 MMP2 (0.45) SMN1; SMN2RAB9AMMP2MMP9MMP3
SCHEMBL7077653 0.77 MMP2 (0.60) NPC1RAB9AMMP2MMP9MMP3
SCHEMBL7231531 0.77 MMP2 (0.59) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL6578080 0.75 MMP2 (0.51) CYP1A2CYP2D6CYP2C19SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
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 CYP1A2 2103/4885CYP2D6 3109/4885CYP2C19 2083/4885

“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.