SCHEMBL2099451

SCHEMBL2099451

O=C(CNC(=O)C(F)(F)F)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL8140158 0.94 ALDH1A1 (0.33) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6129080 0.86 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL27324540 0.84 MGLL (0.30)
SCHEMBL18395911 0.83 PREP (0.35) POLB
SCHEMBL7699524 0.83 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL16418492 0.83
SCHEMBL888243 0.81 MEN1 (0.51) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2100045 0.81 MEN1 (0.51) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4204236 0.81 PSMB8 (0.32) ALDH1A1
SCHEMBL12568580 0.81 RECQL (0.33) ALDH1A1SMN1; SMN2HPGDRECQL

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 24 patents — showing the first 20. 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-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
US-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2008-10-16 US disclosed
EP-1728797-A2 Regulators of the hedgehog pathway, compositions and uses related thereto Johns Hopkins University School of Medicine (US) 2006-12-06 EP disclosed
US-7098196-B1 Regulators of the hedgehog pathway, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2006-08-29 US disclosed
US-20060128639-A1 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2006-06-15 US disclosed
EP-1235851-B1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO UNIV JOHNS HOPKINS MED (US) 2006-05-31 EP disclosed
EP-1235851-A2 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO Johns Hopkins University School of Medicine (US) 2002-09-04 EP disclosed
WO-2001027135-A9 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO UNIV JOHNS HOPKINS MED (US) 2002-08-15 WO disclosed
WO-2001027135-A2 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2001-04-19 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 (4 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 ALDH1A1 3430/4885POLB 3067/4885SMN1; SMN2 3651/4885
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO ALDH1A1 3430/4885POLB 3067/4885SMN1; SMN2 3651/4885
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO ALDH1A1 3430/4885POLB 3067/4885SMN1; SMN2 3651/4885
US-20060128639-A1 Regulators of the hedgehog pathway, compositions and uses related thereto SHH, GLI1, SMO ALDH1A1 3430/4885POLB 3067/4885SMN1; SMN2 3651/4885

“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.