SCHEMBL3439592

SCHEMBL3439592

O=C(O)c1ccc(CN2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(Cc4ccc(C(=O)O)cc4)C5=O)cc3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 1.00
▸ HPGD P15428 3/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ CA1 P00915 3/20 0.67
▸ CA4 P22748 3/20 0.67
▸ CA2 P00918 2/20 0.67
▸ CA9 Q16790 2/20 0.67
▸ ALDH1A1 P00352 5/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ POLB P06746 1/20 0.59
▸ TSHR P16473 1/20 0.56
▸ PTGS1 P23219 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ GAA P10253 1/20 0.55

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
SCHEMBL4239479 0.94 ENPP2 (0.88) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL20010530 0.92 KMT2A (0.88) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL17946434 0.89 KMT2A (0.83) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL31667420 0.87 KMT2A (0.78) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5012350 0.87 HPGD (0.78) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5009943 0.87 HPGD (0.78) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5010573 0.86 KMT2A (1.00) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL5010921 0.85 HPGD (0.76) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL31753078 0.84 KMT2A (0.74) ENPP2HPGDKMT2AMEN1CA1
SCHEMBL916927 0.84 KMT2A (0.74) ENPP2HPGDKMT2AMEN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969590-B1 Autotaxin inhibitors THE UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION 2015-03-03 — — US disclosed
US-8969590-B1 Autotaxin inhibitors THE UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION 2015-03-03 — — US disclosed
US-8497371-B2 Pipemidic acid derivative autotaxin inhibitors UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2013-07-30 — — US disclosed
US-8497371-B2 Pipemidic acid derivative autotaxin inhibitors UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2013-07-30 — — US disclosed
US-8268891-B1 Autotaxin inhibitors UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2012-09-18 — — US disclosed
US-8268891-B1 Autotaxin inhibitors UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2012-09-18 — — US disclosed
US-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS THE UNIVERSITY OF MEMPHIS 2012-04-26 — — US disclosed
US-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS THE UNIVERSITY OF MEMPHIS 2012-04-26 — — US disclosed
WO-2011053597-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS THE UNIVERSITY OF MEMPHIS RESEARCH FOUNDATION (US) 2011-05-05 — — 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 (1 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-20120100592-A1 PIPEMIDIC ACID DERIVATIVE AUTOTAXIN INHIBITORS ENPP2, PLA2G6, PLA2G10 ENPP2 1/4885HPGD 3259/4885KMT2A 1389/4885

“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.

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