SCHEMBL4190786

SCHEMBL4190786

CC(C)(C)[Si](C)(C)Oc1ccc2cc(CN)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 10/20 0.48
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA9 Q16790 4/20 0.45
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PREP P48147 2/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL4186622 0.86 CA12 (0.45) LOXL2CA12CA1CA9MTNR1A
SCHEMBL30920584 0.77 LOXL2 (0.76) LOXL2MTNR1AMTNR1BCA2
SCHEMBL23501875 0.77 LOXL2 (0.76) LOXL2MTNR1AMTNR1BCA2
SCHEMBL4190788 0.76 CA12 (0.46) CA12CA1CA9MTNR1AMTNR1B
SCHEMBL1621740 0.75 CA12 (0.45) CA12CA1CA9PREPCA2
SCHEMBL29952094 0.75 CA12 (0.45) CA12CA1CA9PREPCA2
SCHEMBL4192383 0.74 EIF4A3 (0.49) CA12CA1CA9
SCHEMBL31663239 0.73 LOXL2 (0.36) LOXL2CA12CA1CA9CA2
SCHEMBL3017521 0.72 XDH (0.47) CA12CA1CA9
SCHEMBL27247673 0.72 LOXL2 (0.42) LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090060968-A1 INHIBITORS OF PHOSPHATASES SAUNDERS JEFFREY O 2009-03-05 US disclosed
US-20090060968-A1 INHIBITORS OF PHOSPHATASES SAUNDERS JEFFREY O 2009-03-05 US disclosed
US-7439249-B2 Inhibitors of phosphatases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-21 US disclosed
US-7439249-B2 Inhibitors of phosphatases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-21 US disclosed
EP-1583747-A2 INHIBITORS OF PHOSPHATASES Vertex Pharmaceuticals Incorporated (US) 2005-10-12 EP disclosed
US-20040186116-A1 such as 2-(7-acetylamino-1-furano-2-ylmethyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-succinic acid; for treatment of autoimmune diseases, proliferative diseases, angiogenic disorders, and/or cancers; catheters, prosthetics VERTEX PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
WO-2004060878-A2 INHIBITORS OF PHOSPHATASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-22 WO 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 (2 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-20090060968-A1 INHIBITORS OF PHOSPHATASES PPM1G, PPM1A, PPM1F LOXL2 2519/4885CA12 3046/4885CA1 2064/4885
US-20040186116-A1 such as 2-(7-acetylamino-1-furano-2-ylmethyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-succinic acid; for treatment of autoimmune diseases, proliferative diseases, angiogenic disorders, and/or cancers; catheters, prosthetics CD47, FGF1, FGF2 LOXL2 2429/4885CA12 202/4885CA1 104/4885

“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.