SCHEMBL2615860

SCHEMBL2615860

O=C(N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PADI1 Q9ULC6 5/20 0.40
▸ PADI4 Q9UM07 5/20 0.40
▸ PADI2 Q9Y2J8 4/20 0.40
▸ PADI3 Q9ULW8 3/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TGM2 P21980 5/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ KDM1A O60341 5/20 0.36
▸ KDM1B Q8NB78 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ PDE4A P27815 3/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PADI6 Q6TGC4 1/20 0.36

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
SCHEMBL2102601 0.93 MLYCD (0.40) PADI1PADI4PADI2PADI3CA1
SCHEMBL2615859 0.82 FOLH1 (0.49) PADI1PADI4PADI2PADI3
SCHEMBL2628415 0.78 PPARG (0.39) —
SCHEMBL2101102 0.78 PPARG (0.39) —
SCHEMBL8924990 0.77 TDP1 (0.42) TGM2
SCHEMBL2099054 0.74 FOLH1 (0.55) MLYCD
SCHEMBL2631415 0.73 HDAC3 (0.42) —
SCHEMBL12384334 0.73 HDAC3 (0.42) —
SCHEMBL16865569 0.72 CTSL (0.41) —
SCHEMBL7202631 0.72 CTSL (0.58) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440988-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-09-13 — — US disclosed
US-9440988-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-09-13 — — US disclosed
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO BEACHY PHILIP A (US) 2012-05-31 — — US disclosed
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO BEACHY PHILIP A (US) 2012-05-31 — — US disclosed
US-8163719-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2012-04-24 — — US disclosed
US-8163719-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2012-04-24 — — US disclosed
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-10-27 — — US disclosed
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-10-27 — — US disclosed
US-7998946-B2 Veratrum-type alkaloid inhibits mitotic cell proliferation in hedgehog-mediated signal transduction with an ED50 of 1 mM or less; preparations administered systemically, locally, topically; cancer; non-malignant hyperproliferative disorders JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-08-16 — — US disclosed
US-7998946-B2 Veratrum-type alkaloid inhibits mitotic cell proliferation in hedgehog-mediated signal transduction with an ED50 of 1 mM or less; preparations administered systemically, locally, topically; cancer; non-malignant hyperproliferative disorders JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-08-16 — — US disclosed
US-7476661-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2009-01-13 — — US disclosed
US-7476661-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2009-01-13 — — US disclosed
US-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2008-10-16 — — US disclosed
US-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2008-10-16 — — 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 (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-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto SHH, GLI1, SMO PADI1 3838/4885PADI4 4055/4885PADI2 3768/4885
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO PADI1 3838/4885PADI4 4055/4885PADI2 3768/4885
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO PADI1 3838/4885PADI4 4055/4885PADI2 3768/4885

“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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