SCHEMBL22060197

SCHEMBL22060197

CCOC(C)(C)CCSSCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
FOLH1 Q04609 1/20 0.39
AKR1B1 P15121 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4A P27815 1/20 0.34
KMT2A Q03164 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
SCHEMBL22060232 0.84 TSHR (0.42) TSHRALDH1A1MEN1KMT2A
SCHEMBL22059589 0.83 TSHR (0.36) TSHRFOLH1ALDH1A1MEN1KMT2A
SCHEMBL20629972 0.81 TSHR (0.35) TSHRFOLH1ALDH1A1MEN1KMT2A
SCHEMBL22060217 0.80 FOLH1 (0.41) TSHRFOLH1ALDH1A1
SCHEMBL28184813 0.78 ALDH1A1 (0.42) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL225702 0.73 TSHR (0.71) TSHRFOLH1AKR1B1GPR84HDAC11
SCHEMBL94565 0.73 TSHR (0.71) TSHRFOLH1AKR1B1GPR84HDAC11
SCHEMBL20629973 0.72 AKR1B1 (0.61) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL25148545 0.72 ALDH1A1 (0.37) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL23046863 0.71 TSHR (0.77) TSHRFOLH1AKR1B1GPR84HDAC11

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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R TSHR 2086/4885FOLH1 236/4885AKR1B1 1002/4885

“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.