SCHEMBL2615859

SCHEMBL2615859

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 15/20 0.49
▸ ALB P02768 2/20 0.48
▸ PADI1 Q9ULC6 2/20 0.46
▸ PADI3 Q9ULW8 2/20 0.46
▸ PADI4 Q9UM07 2/20 0.46
▸ PADI2 Q9Y2J8 1/20 0.46

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
SCHEMBL2099054 0.91 FOLH1 (0.55) FOLH1
SCHEMBL13969386 0.85 ALB (0.53) FOLH1ALBPADI1PADI4PADI2
SCHEMBL10801036 0.82 FOLH1 (0.60) FOLH1
SCHEMBL11544593 0.82 FOLH1 (0.60) FOLH1
SCHEMBL2615860 0.82 PADI1 (0.40) PADI1PADI3PADI4PADI2
SCHEMBL11576579 0.81 FOLH1 (0.60) FOLH1
SCHEMBL2628180 0.81 PPARG (0.53) FOLH1
SCHEMBL2615858 0.81 PPARG (0.53) FOLH1
SCHEMBL22312697 0.79 ITGB3 (0.55) FOLH1
SCHEMBL6810961 0.79 ITGB3 (0.55) FOLH1

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 FOLH1 840/4885ALB 4869/4885PADI1 3838/4885
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO FOLH1 840/4885ALB 4869/4885PADI1 3838/4885
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO FOLH1 840/4885ALB 4869/4885PADI1 3838/4885

“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.

Send feedback