SCHEMBL5550394

SCHEMBL5550394

O=C(O)c1cc(Br)c(CO)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
TPMT P51580 4/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
MAPT P10636 1/20 0.39
SELL P14151 1/20 0.39
HPGD P15428 1/20 0.39
SELP P16109 1/20 0.39
FUT4 P22083 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL29172048 0.86 TTR (0.48) TTRTPMTCA12CA1CA2
SCHEMBL30848312 0.86 TTR (0.48) TTRTPMTCA12CA1CA2
SCHEMBL28198982 0.82 TTR (0.58) TTRTPMTCA12CA1CA2
SCHEMBL29171894 0.82 TTR (0.44) TTRTPMTALDH1A1HPGD
SCHEMBL30848231 0.82 TTR (0.44) TTRTPMTALDH1A1HPGD
SCHEMBL1856918 0.80 TTR (0.56) TTRTPMTCA12CA1CA2
SCHEMBL7122207 0.75 TTR (0.68) TTRTPMTCA12CA1CA2
SCHEMBL16077698 0.75 TTR (0.67) TTRTPMTCA12CA1CA2
SCHEMBL6642771 0.75 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1237714 0.74 TPMT (0.46) TTRTPMTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676498-B2 Processes for the preparation of sofosbuvir and intermediates thereof TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2020-06-09 US disclosed
US-20190218243-A1 IMPROVED PROCESSES FOR THE PREPARATION OF SOFOSBUVIR AND INTERMEDIATES THEREOF ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2019-07-18 US disclosed
EP-3303362-A2 IMPROVED PROCESSES FOR THE PREPARATION OF SOFOSBUVIR AND INTERMEDIATES THEREOF Teva Pharmaceuticals International GmbH (CH) 2018-04-11 EP disclosed
WO-2016196735-A2 IMPROVED PROCESSES FOR THE PREPARATION OF SOFOSBUVIR AND INTERMEDIATES THEREOF TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-12-08 WO disclosed
US-20070027215-A1 Nuclear receptor ligands and ligand binding domains THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-01 US disclosed
EP-0873361-B1 Crystals of the ligand-binding domain of the thyroid hormone receptor complexed to a ligand UNIV CALIFORNIA (US) 2006-11-02 EP disclosed
EP-0873361-A4 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS UNIV CALIFORNIA (US) 2002-10-23 EP disclosed
US-6236946-B1 Nuclear receptor ligands and ligand binding domains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-05-22 US disclosed
EP-1034184-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS The Regents of the University of California (US) 2000-09-13 EP disclosed
WO-1999026966-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-06-03 WO disclosed
EP-0873361-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-28 EP disclosed
WO-1997021993-A2 NUCLEAR RECEPTOR LIGANDS AND LIGAND BINDING DOMAINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-06-19 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 (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-10676498-B2 Processes for the preparation of sofosbuvir and intermediates thereof CYP3A4, EIF2AK2, RTF2 TTR 2575/4885TPMT 333/4885CA12 4477/4885
US-20070027215-A1 Nuclear receptor ligands and ligand binding domains TSHR, NR5A2, THRA TTR 195/4885TPMT 4628/4885CA12 4461/4885
US-20190218243-A1 IMPROVED PROCESSES FOR THE PREPARATION OF SOFOSBUVIR AND INTERMEDIATES THEREOF EIF2AK2, CYP3A4, RTF2 TTR 2374/4885TPMT 367/4885CA12 4551/4885

“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.