SCHEMBL7078809

SCHEMBL7078809

O=C(O)CCSc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
SDCBP O00560 1/20 0.51
SDC2 P34741 1/20 0.51
KDM4E B2RXH2 3/20 0.50
TEAD1 P28347 1/20 0.50

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
SCHEMBL27191704 0.94 HPGD (0.57) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL414617 0.84 ALDH1A1 (0.70) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL4427048 0.82 HDAC3 (0.67) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL4265215 0.81 HDAC1 (0.69) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL28548058 0.81 HDAC1 (0.69) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL7016534 0.79 TP53 (0.46) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL7078807 0.79 ALDH1A1 (0.50) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL22027570 0.79 ALDH1A1 (0.42) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL7471764 0.78 HPGD (0.55) HPGDHTTRAB9ANPC1CYP1A2
SCHEMBL7518075 0.77 KDM4E (0.56) HPGDHTTRAB9ANPC1CYP1A2

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 HPGD 107/4885HTT 1532/4885RAB9A 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.