SCHEMBL1375355

SCHEMBL1375355

O=C(O)/C(O)=C/C(=O)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
PTPN1 P18031 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PLA2G2A P14555 2/20 0.42
PLA2G10 O15496 1/20 0.42
LMNA P02545 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HNF4A P41235 1/20 0.41
GPR52 Q9Y2T5 3/20 0.41
FOLH1 Q04609 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1375356 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3PTPN1CA1
SCHEMBL3306429 0.85 LMNA (0.55) PLA2G2APLA2G10LMNANFE2L2HNF4A
SCHEMBL3306440 0.85 LMNA (0.55) PLA2G2APLA2G10LMNANFE2L2HNF4A
SCHEMBL3306434 0.85 LMNA (0.55) PLA2G2APLA2G10LMNANFE2L2HNF4A
SCHEMBL21169071 0.84 LOXL2 (0.51) PTPN1NFE2L2GPR52FOLH1HDAC1
SCHEMBL3305722 0.78 NFE2L2 (0.64) CA1CA2CA9LMNANFE2L2
SCHEMBL3305717 0.78 NFE2L2 (0.64) CA1CA2CA9LMNANFE2L2
SCHEMBL3305728 0.78 NFE2L2 (0.64) CA1CA2CA9LMNANFE2L2
SCHEMBL7782873 0.78 PRSS1 (0.54) PRSS1PRSS2PRSS3PTPN1CA1
SCHEMBL6943789 0.78 PTPN1 (0.61) PTPN1LMNAGPR52ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007532665-A 2007-11-15 JP claimed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP claimed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO claimed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060264404-A1 Therapeutic phosphonate compounds GILEAD SCIENCES, INC. 2006-11-23 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
EP-1628685-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2006-03-01 EP disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound GILEAD SCIENCES, INC. 2005-09-29 US disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 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 (5 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PRSS1 2373/4885PRSS2 3237/4885PRSS3 2996/4885
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound EIF2AK2, PNP, NUDT1 PRSS1 3120/4885PRSS2 3021/4885PRSS3 3256/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE PRSS1 1178/4885PRSS2 2819/4885PRSS3 2795/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE PRSS1 1178/4885PRSS2 2819/4885PRSS3 2795/4885
US-20060264404-A1 Therapeutic phosphonate compounds PHOSPHO1, PIK3CA, PHPT1 PRSS1 3494/4885PRSS2 3974/4885PRSS3 3776/4885

“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.