Sugi Predict

Sugi Predict / Compounds / SCHEMBL78716

SCHEMBL78716

SCHEMBL78716

O=C(O)Cl.O=C(O)Cl.O=C(O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ TSHR P16473 8/20 0.42
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ACHE P22303 1/20 0.40
▸ FFAR3 O14843 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ LDHA P00338 2/20 0.33
▸ EGLN1 Q9GZT9 2/20 0.33
▸ LDHB P07195 1/20 0.33
▸ SRR Q9GZT4 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ SUCNR1 Q9BXA5 1/20 0.33
▸ EGLN3 Q9H6Z9 1/20 0.33
▸ CYP2D6 P10635 2/20 0.31
▸ BLM P54132 2/20 0.31

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
SCHEMBL9181149 1.00 — —
SCHEMBL1781916 1.00 — —
SCHEMBL815 1.00 — —
SCHEMBL8837465 0.94 CA1 (0.44) CA1CA2CA9TSHRLMNA
SCHEMBL11747441 0.94 — —
Bicarbonate SCHEMBL2591362 0.94 — —
SCHEMBL4001690 0.94 — —
Water SCHEMBL6150200 0.94 — —
Hydrogen Sulfide SCHEMBL22289073 0.94 — —
SCHEMBL17102795 0.94 — —

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873691-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-23 — — US disclosed
US-20160318920-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-11-03 — — US disclosed
US-9394293-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-07-19 — — US disclosed
US-20140350056-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2014-11-27 — — US disclosed
US-8808747-B2 Nucleic acid microparticles for pulmonary delivery BAXTER INTERNATIONAL INC. (US) 2014-08-19 — — US disclosed
WO-2013021276-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-02-14 — — WO disclosed
US-8129388-B2 Therapeutic agents useful for treating pain Purde Pharma L.P. (US) 2012-03-06 — — US disclosed
US-20110288100-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-24 — — US disclosed
US-20110281876-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-17 — — US disclosed
US-8030310-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2011-10-04 — — US disclosed
US-20040044003-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-04 — — US disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 — — WO disclosed
EP-1383505-A2 INOSINE COMPOUNDS AND THEIR USE FOR TREATING OR PREVENTING AN INFLAMATION OR A REPERFUSION DISEASE Inotek Pharmaceuticals Corporation (US) 2004-01-28 — — EP disclosed
US-20040006091-A1 Therapeutic agents useful for treating or preventing pain PURDUE PHARMA L.P. 2004-01-08 — — US disclosed
WO-2003074520-A1 THIADIAZOLYLPIPERAZINE DERIVATIVES USEFUL FOR TREATING OR PREVENTING PAIN EURO-CELTIQUE, S.A. (LU) 2003-09-12 — — WO disclosed
WO-2003066595-A2 2 - PIPERAZINE - PYRIDINES USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2003-08-14 — — WO disclosed
WO-2003059933-A2 CONFORMATIONALLY CONSTRAINED C-BACKBONE CYCLIC PEPTIDES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-07-24 — — WO disclosed
US-20030040502-A1 Inosine compounds and their use for treating or preventing an inflamation or a reperfusion disease INOTEK PHARMACEUTICALS CORPORATION 2003-02-27 — — US disclosed
WO-2002076400-A2 INOSINE COMPOUNDS AND THEIR USE FOR TREATING OR PREVENTING AN INFLAMATION OR A REPERFUSION DISEASE INOTEK PHARMACEUTICALS CORPORATION (US) 2002-10-03 — — WO disclosed
US-4085269-A 1,3,5 Tris-(2-chloroformyl-oxyethyl)-isocyanurate BASF AKTIENGESELLSCHAFT (DT) 1978-04-18 — — 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 (7 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-20110281876-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, TRPV1 CA1 1816/4885CA2 505/4885CA9 3595/4885
US-20040006091-A1 Therapeutic agents useful for treating or preventing pain OPRK1, OPRL1, OPRD1 CA1 2266/4885CA2 866/4885CA9 3879/4885
US-20030040502-A1 Inosine compounds and their use for treating or preventing an inflamation or a reperfusion disease NOS2, NOS1, ARG2 CA1 2024/4885CA2 1716/4885CA9 3492/4885
US-20160318920-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPV2, TRPA1 CA1 3825/4885CA2 2100/4885CA9 4697/4885
US-20110288100-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, MTNR1A CA1 2068/4885CA2 583/4885CA9 4100/4885
US-20140350056-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPV2, TRPA1 CA1 3825/4885CA2 2100/4885CA9 4697/4885
US-20040044003-A1 Therapeutic agents useful for treating pain GRIK5, HBS1L, GABRR1 CA1 2741/4885CA2 3927/4885CA9 4844/4885

“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.