SCHEMBL7077459

SCHEMBL7077459

COc1ccc(SCC(CCc2ccccn2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
VNN1 O95497 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTPRA P18433 1/20 0.40
METAP2 P50579 1/20 0.40
SYK P43405 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40

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
SCHEMBL7078743 0.80 GRIK1 (0.48) KMT2ARAB9ANPC1ALDH1A1MAPT
SCHEMBL6380461 0.79 MTNR1A (0.50) KMT2ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL7074737 0.79 TAS1R3 (0.44) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7075217 0.78 RAB9A (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7205140 0.78 PTPRA (0.57) RAB9ANPC1SMN1; SMN2HPGDPTPRA
SCHEMBL16376234 0.77 RAB9A (0.65) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7074193 0.76 PPARG (0.56) MAPT
Hydrochloric Acid SCHEMBL16346496 0.76 RAB9A (0.63) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7073559 0.75 PDE4B (0.48) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7077653 0.74 MMP2 (0.60) MEN1KMT2ARAB9ANPC1ALDH1A1

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 3 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

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 MEN1 4111/4885KMT2A 1581/4885RAB9A 3637/4885

“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.