SCHEMBL22639759

SCHEMBL22639759

O=C(CSc1nc[nH]n1)c1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
CTSZ Q9UBR2 5/20 0.61
KDM4E B2RXH2 2/20 0.61
RAB9A P51151 9/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 2/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD11B1 P28845 1/20 0.54
NPC1 O15118 6/20 0.54
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 2/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51

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
SCHEMBL23949790 0.77 CA12 (0.48) ALDH1A1KDM4EMAPT
SCHEMBL23949896 0.77 MEN1 (0.63) ALDH1A1KDM4ETSHRMAPTPKM
SCHEMBL10986702 0.74 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9ATSHRHSD17B10
SCHEMBL14408085 0.74 ALDH1A1 (0.61) ALDH1A1CTSZKDM4ERAB9ATSHR
Bromide SCHEMBL10981546 0.73 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9ATSHRHSD17B10
SCHEMBL5375177 0.73 HSD11B1 (0.57) ALDH1A1CTSZKDM4ERAB9ATSHR
Bromide SCHEMBL11197730 0.72 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9ATSHRHSD17B10
SCHEMBL14408074 0.72 ALDH1A1 (0.59) ALDH1A1CTSZKDM4ERAB9ATSHR
SCHEMBL653025 0.70 PKM (0.87) ALDH1A1TSHRPKM
SCHEMBL23949801 0.70 GAA (0.57) ALDH1A1RAB9AHSD17B10MAPTALOX15

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 ALDH1A1 1636/4885CTSZ 262/4885KDM4E 4343/4885

“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.