SCHEMBL21798536

SCHEMBL21798536

COc1ccc2c(Cl)[c]sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PRNP P04156 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARG P37231 1/20 0.45
HTT P42858 1/20 0.45
MAPK10 P53779 1/20 0.45
NCOA2 Q15596 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MIF P14174 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL3531804 0.80 TSHR (0.40) TSHRPRNPMAPK1PPARGHTT
SCHEMBL3920141 0.77 BCKDK (0.39) TSHRMAPK1HTTNPSR1RXFP1
SCHEMBL147923 0.72 BCKDK (0.41) MIFALDH1A1MAPTLMNAMPI
SCHEMBL28707149 0.71 APP (0.37) TSHRPRNPMAPK1PPARGHTT
SCHEMBL3533860 0.69 ALDH1A1 (0.42) TSHRHTTALDH1A1KDM4EMAPT
SCHEMBL29768596 0.69 TSHR (0.46) TSHRPRNPMAPK1PPARGHTT
SCHEMBL8392461 0.68 TSHR (0.49) TSHRPRNPMAPK1PPARGHTT
SCHEMBL10031374 0.67 HTT (0.51) TSHRPRNPMAPK1PPARGHTT
SCHEMBL66254 0.66 GPR3 (0.40) HTTALDH1A1KDM4EMAPTGAA
SCHEMBL18252673 0.66 HTT (0.50) TSHRPRNPMAPK1PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041307-B Substituted benzothiophene analogs as selective estrogen receptor degrading agents 伊利诺伊大学评议会 2024-02-09 CN disclosed
CN-116438177-A Targeted chimeric compounds, pharmaceutical compositions containing same, and preparation methods and uses thereof 江苏亚虹医药科技股份有限公司 2023-07-14 CN disclosed
CN-110177554-B Combination therapy for the treatment of cancer G1治疗公司 2023-06-02 CN disclosed
CN-108699024-B Benzothienyl selective estrogen receptor down-regulator compounds 伊利诺伊大学评议会 2022-03-11 CN disclosed
CN-108495628-B Benzothienyl selective estrogen receptor down-modulators 伊利诺伊大学评议会 2022-01-11 CN disclosed
CN-112041307-A Substituted benzothiophene analogs as selective estrogen receptor degraders 伊利诺伊大学评议会 2020-12-04 CN disclosed
US-10807964-B2 Benzothiophene-based selective estrogen receptor downregulators THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-10-20 US disclosed
US-20200079752-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-03-12 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 (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-10807964-B2 Benzothiophene-based selective estrogen receptor downregulators ESR1, ESR2, GPER1 TSHR 287/4885PRNP 4443/4885MAPK1 3793/4885
US-20200079752-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 TSHR 287/4885PRNP 4443/4885MAPK1 3793/4885

“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.