SCHEMBL4289003

SCHEMBL4289003

CC(C)(C)c1csc(SCC[C@@H]2CN(C(=O)O)CCN2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER3 P43115 8/20 0.35
PTGER2 P43116 8/20 0.35
PTGER4 P35408 6/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
LMNA P02545 2/20 0.33
PTGER1 P34995 1/20 0.33
UCHL1 P09936 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 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
Hydrochloric Acid SCHEMBL4284863 0.85 GAA (0.40) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL4293400 0.81 NPC1 (0.34) MAPTALDH1A1SMN1; SMN2PTGER3PTGER2
SCHEMBL4281381 0.80 HTR1A (0.44) HTR1AHTR2AHTR7MAPTALDH1A1
SCHEMBL4284650 0.77 CA1 (0.32) CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4285632 0.75 GAA (0.43) MAPTALDH1A1SMN1; SMN2GAAPKM
Hydrochloric Acid SCHEMBL4287015 0.73 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2PKM
SCHEMBL4295080 0.71 PDK1 (0.40) MAPTALDH1A1SMN1; SMN2CA1CA2
Hydrochloric Acid SCHEMBL4287846 0.71 SMN1; SMN2 (0.44) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL4288225 0.70 KMT2A (0.46) MAPTALDH1A1SMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL4282526 0.69 KMT2A (0.45) MAPTALDH1A1SMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR1A 4012/4885HTR2A 4298/4885HTR7 1874/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR1A 4012/4885HTR2A 4298/4885HTR7 1874/4885

“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.