SCHEMBL6792815

SCHEMBL6792815

O=C1CCCC(=O)C1=C(SCc1ccccc1)SCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.46
IDO1 P14902 4/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14445502 0.70 HPD (0.56) HPDLMNAHTT
SCHEMBL6992951 0.67 HPGD (0.46) HPD
SCHEMBL3070200 0.66 IDO1 (0.71) IDO1NOS3NOS1NOS2CA12
SCHEMBL79058 0.66 IDO1 (0.58) IDO1NOS3NOS1NOS2CA12
SCHEMBL6793063 0.66 MEN1 (0.33) LMNA
SCHEMBL8464007 0.66 KMT2A (0.41) HPDLMNATSHRHTT
Hydrochloric Acid SCHEMBL11629727 0.65 IDO1 (0.59) IDO1NOS3NOS1NOS2CA12
SCHEMBL2499860 0.65 IDO1 (0.56) IDO1NOS3NOS1NOS2CA12
SCHEMBL2364065 0.65 IDO1 (0.69) IDO1NOS3NOS1NOS2CA12
SCHEMBL4829383 0.64 IDO1 (0.58) IDO1NOS3NOS1NOS2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 HPD 3425/4885IDO1 2548/4885NOS3 2651/4885

“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.