SCHEMBL6322160

SCHEMBL6322160

CSc1ccc(C(O)(C[C@H](C)NC(O)CCOc2ccccc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KIF11 P52732 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 4/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6322158 1.00 SIGMAR1 (0.36) SIGMAR1ALOX5PPARGPPARAALDH1A1
SCHEMBL6322832 0.78 ADRB2 (0.54) ALDH1A1MEN1KMT2ACYP2D6SLC6A2
SCHEMBL6322829 0.78 ADRB2 (0.54) ALDH1A1MEN1KMT2ACYP2D6SLC6A2
SCHEMBL7772500 0.72 LMNA (0.40) KIF11KDM4EKMT2ALMNACYP2D6
SCHEMBL7772503 0.69 KIF11 (0.39) ALDH1A1KIF11SMN1; SMN2KDM4ESLC6A4
SCHEMBL7764620 0.68 KIF11 (0.40) ALDH1A1HPGDKIF11KDM4EMEN1
SCHEMBL5288147 0.67 KCNA3 (0.54) ALDH1A1HPGDGAASMN1; SMN2RAB9A
SCHEMBL5287407 0.66 KCNA3 (0.64) GAASMN1; SMN2DRD3
SCHEMBL6322846 0.65 ADRB2 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL6322852 0.65 ADRB2 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AHTT

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SIGMAR1 634/4885ALOX5 327/4885PPARG 122/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SIGMAR1 465/4885ALOX5 302/4885PPARG 156/4885

“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.