SCHEMBL7347477

SCHEMBL7347477

COc1ccc(C2NC(=S)NC(C)=C2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.70
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
ALDH1A1 P00352 11/20 0.65
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.57
DHFR P00374 1/20 0.55
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 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
SCHEMBL7347481 1.00 GUSB (0.70) GUSBCA1CA2ALDH1A1CYP2C9
SCHEMBL5372154 0.89 ALDH1A1 (0.73) GUSBCA1CA2ALDH1A1CYP2C9
SCHEMBL22640045 0.88 GUSB (0.68) GUSBCA1CA2ALDH1A1CYP2C9
SCHEMBL22639674 0.88 GUSB (0.68) GUSBCA1CA2ALDH1A1CYP2C9
SCHEMBL14413835 0.84 ALDH1A1 (0.80) ALDH1A1KDM4ETP53KMT2AGAA
SCHEMBL19732926 0.84 ALDH1A1 (0.80) ALDH1A1KDM4ETP53KMT2AGAA
SCHEMBL3168404 0.84 CA1 (0.79) GUSBCA1CA2ALDH1A1KDM4E
SCHEMBL5766793 0.84 DHFR (0.70) GUSBCA1CA2ALDH1A1DHFR
SCHEMBL10113599 0.82 GUSB (1.00) GUSBCA1CA2ALDH1A1CYP2C9
SCHEMBL7697757 0.81 CA1 (0.74) GUSBCA1CA2ALDH1A1CYP2C9

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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 US disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO disclosed
EP-0891978-B1 5H-Thiazolo (3,2-a) pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-03-20 EP disclosed
US-5958931-A NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
EP-0891978-A2 5H-Thiazolo (3,2-a) pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-01-20 EP 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY GUSB 3571/4885CA1 4435/4885CA2 3899/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY GUSB 3123/4885CA1 4768/4885CA2 4679/4885

“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.