SCHEMBL14712988

SCHEMBL14712988

O=C1NC(=S)NC(=O)C1=C/C=C/c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.71
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 1/20 0.53
F2 P00734 1/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
MITF O75030 1/20 0.47
MDM2 Q00987 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NTSR1 P30989 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APP P05067 2/20 0.44
SNCA P37840 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43

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
SCHEMBL16543005 0.87 CTSL (0.71) METAP1CTSLCTSBALDH1A1MAPT
SCHEMBL14712875 0.84 METAP1 (0.71) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL13848519 0.83 METAP1 (1.00) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL4044276 0.83 METAP1 (1.00) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL14713019 0.82 METAP1 (0.68) METAP1CTSLCTSBALDH1A1RAB9A
SCHEMBL14712871 0.80 METAP1 (0.66) METAP1CTSLCTSBALDH1A1RAB9A
SCHEMBL14713027 0.80 MAPT (0.77) METAP1CTSLCTSBALDH1A1RAB9A
SCHEMBL8026269 0.80 METAP1 (1.00) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL30020331 0.80 METAP1 (1.00) METAP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14713065 0.76 MAPT (0.55) METAP1CTSLCTSBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
US-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2018-05-17 US disclosed
US-9878998-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-01-30 US disclosed
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY CONNOR, JAMES R. 2015-03-05 US disclosed
WO-2013024447-A1 COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2013-02-21 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 (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-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAX METAP1 2044/4885CTSL 4618/4885CTSB 3065/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 METAP1 2416/4885CTSL 3974/4885CTSB 2153/4885

“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.