SCHEMBL5401402

SCHEMBL5401402

CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
ALOX12 P18054 5/20 0.81
TDP1 Q9NUW8 4/20 0.81
KMT2A Q03164 11/20 0.76
MEN1 O00255 10/20 0.76
MAPT P10636 3/20 0.76
NPSR1 Q6W5P4 3/20 0.76
PTGER2 P43116 1/20 0.76
AKT1 P31749 1/20 0.70
PKM P14618 4/20 0.69
HSD17B10 Q99714 1/20 0.69
LMNA P02545 2/20 0.68
KDM4E B2RXH2 2/20 0.67
HPGD P15428 3/20 0.66
KLKB1 P03952 1/20 0.65
CTSB P07858 1/20 0.65
ELANE P08246 1/20 0.65
POLB P06746 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
P2RY1 P47900 1/20 0.64

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
SCHEMBL5401641 0.87 ALDH1A1 (0.82) ALDH1A1ALOX12TDP1KMT2AMEN1
SCHEMBL13212128 0.83 MEN1 (1.00) ALDH1A1ALOX12TDP1KMT2AMEN1
SCHEMBL287025 0.82 AKT1 (1.00) ALDH1A1KMT2AMEN1MAPTAKT1
SCHEMBL11893078 0.81 AKT1 (0.80) ALDH1A1KMT2AMEN1AKT1PKM
SCHEMBL13212124 0.79 KMT2A (0.80) ALDH1A1ALOX12TDP1KMT2AMEN1
SCHEMBL5407138 0.79 MEN1 (1.00) ALDH1A1KMT2AMEN1AKT1PKM
SCHEMBL15840511 0.78 KMT2A (1.00) ALDH1A1ALOX12TDP1KMT2AMEN1
SCHEMBL12173925 0.78 ALDH1A1 (0.64) ALDH1A1ALOX12TDP1KMT2AMEN1
SCHEMBL31058614 0.78 KMT2A (0.81) ALDH1A1ALOX12TDP1KMT2AMEN1
SCHEMBL15840649 0.78 ALDH1A1 (0.65) ALDH1A1ALOX12TDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US disclosed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 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 (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-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 53/4885ALOX12 366/4885TDP1 926/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 ALDH1A1 36/4885ALOX12 736/4885TDP1 1572/4885

“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.