SCHEMBL1770104

SCHEMBL1770104

CC(=O)NNC(=S)NC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GAA P10253 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALOX12 P18054 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL22747292 0.84 ALDH1A1 (0.48) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL11374454 0.81 ALDH1A1 (0.49) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL10816655 0.77 ALDH1A1 (0.35) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL11378848 0.75 ALDH1A1 (0.43) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL10758963 0.74 ALDH1A1 (0.44) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL10794899 0.73 ALDH1A1 (0.50) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL437705 0.73 NPSR1 (0.44) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL15374860 0.72 ALDH1A1 (0.53) ALDH1A1GAAKDM4ETDP1MEN1
SCHEMBL2048359 0.72
SCHEMBL12703379 0.72 ALDH1A1 (0.40) ALDH1A1GAAKDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 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 (1 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 ALDH1A1 307/4885GAA 1456/4885KDM4E 1739/4885

“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.