SCHEMBL1124438

SCHEMBL1124438

O=C(O)C=Cc1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NFKB1 P19838 1/20 0.53
CA4 P22748 1/20 0.53
PTGER3 P43115 3/20 0.51
PTGER2 P43116 3/20 0.51
PTGER1 P34995 2/20 0.51
MAPT P10636 3/20 0.48
TBXA2R P21731 2/20 0.48
PTGFR P43088 2/20 0.48
PTGIR P43119 2/20 0.48
PTGDR Q13258 2/20 0.48
LMNA P02545 1/20 0.48
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
PTGER4 P35408 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL1124437 1.00 PTGS2 (0.55) PTGS2CA1CA2NFKB1CA4
SCHEMBL5009953 0.87 PTGS2 (0.48) PTGS2CA1CA2NFKB1CA4
SCHEMBL7004841 0.85 PTGS2 (0.55) PTGS2NFKB1MAPTLMNANPC1
SCHEMBL7004850 0.85 PTGS2 (0.55) PTGS2NFKB1MAPTLMNANPC1
SCHEMBL211297 0.84 HDAC1 (0.65) CA1CA2NFKB1CA4PTGER3
SCHEMBL29393232 0.84 HDAC1 (0.65) CA1CA2NFKB1CA4PTGER3
SCHEMBL12852987 0.84 HDAC1 (0.65) CA1CA2NFKB1CA4PTGER3
SCHEMBL322878 0.84 HDAC1 (0.65) CA1CA2NFKB1CA4PTGER3
SCHEMBL9652685 0.83 PTGS2 (0.54) PTGS2NFKB1MAPTLMNANPC1
SCHEMBL11462614 0.82 HDAC1 (0.62) CA1CA2NFKB1CA4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426243-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics Inc. (US) 2019-01-16 EP disclosed
WO-2017156165-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-9598412-B2 Spiroindoline compounds for use as anthelminthics INTERVET INC. (US) 2017-03-21 US disclosed
US-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2015-02-26 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
EP-2531506-B1 Spiroindoline compounds for use as anthelminthics INTERVET INT BV (NL) 2014-05-14 EP disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
CN-101724007-A Oleanolic acid derivatives and application thereof serving as alpha-glucosidase inhibitor UNIV CHINA PHARMA 2010-06-09 CN disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 WO disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
WO-2005019177-A1 AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
JP-2004534057-A Low-poisonous showing oral dosage form of gaba analogue prodrug 2004-11-11 JP disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-5863936-A HETEROCYCLIC ENZYME INHIBITORS AS ANTICANCER AGENTS GERON CORPORATION (US) 1999-01-26 US disclosed
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 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 (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-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR PTGS2 156/4885CA1 3866/4885CA2 2006/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 PTGS2 891/4885CA1 1085/4885CA2 815/4885

“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.