SCHEMBL12583468

SCHEMBL12583468

O=c1oc2cc(OCc3ccccc3)ccc2cc1-c1nccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.57
▸ MAOB P27338 10/20 0.55
▸ MAOA P21397 4/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA3 P07451 1/20 0.55
▸ CA4 P22748 1/20 0.55
▸ CA6 P23280 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ MTNR1A P48039 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ HPN P05981 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51

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
SCHEMBL7898123 0.81 PIK3CD (0.66) SLC16A3MAOBMAOANPC1MEN1
SCHEMBL4951498 0.78 GLA (0.62) MAOBNPC1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL16826561 0.77 GLA (0.60) MAOBNPC1MEN1KMT2AKDM4E
SCHEMBL7898144 0.77 KDM4E (0.62) SLC16A3MAOBMAOANPC1MEN1
SCHEMBL93260 0.73 SLC16A3 (1.00) SLC16A3MAOBMAOANPC1MEN1
SCHEMBL4648135 0.73 SLC16A3 (0.66) SLC16A3MAOBMAOANPC1MEN1
SCHEMBL29066609 0.73 SLC16A3 (0.70) SLC16A3MAOBMAOANPC1MEN1
SCHEMBL7910817 0.73 SLC16A3 (0.56) SLC16A3MAOBMAOANPC1MEN1
SCHEMBL1093778 0.72 MAOB (0.72) SLC16A3MAOBMAOANPC1MEN1
SCHEMBL104995 0.72 AR (0.67) SLC16A3MAOBMAOANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9182402-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2015-11-10 — — US disclosed
US-20140127127-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-05-08 — — US disclosed
US-8664266-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2014-03-04 — — US disclosed
US-20130289105-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER CENTER 2013-10-31 — — US disclosed
US-8450334-B2 Hepsin inhibitors FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-05-28 — — US disclosed
US-20110144139-A1 HEPSIN INHIBITORS FRED HUTCHINSON CANCER RESEARCH CENTER 2011-06-16 — — 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 (3 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-20140127127-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 SLC16A3 3108/4885MAOB 2847/4885MAOA 3521/4885
US-20110144139-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 SLC16A3 3108/4885MAOB 2847/4885MAOA 3521/4885
US-20130289105-A1 HEPSIN INHIBITORS HPN, TMPRSS2, SPINT2 SLC16A3 3108/4885MAOB 2847/4885MAOA 3521/4885

“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.

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