SCHEMBL17558013

SCHEMBL17558013

COC(=O)CCC(=O)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
TSHR P16473 4/20 0.48
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
EPHX2 P34913 3/20 0.44
EPHX1 P07099 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL30983344 0.88 GLA (0.59) GLATSHREPHX2EPHX1LMNA
SCHEMBL23673611 0.86 GLA (0.46) GLATSHRTPSAB1TPSD1TPSG1
SCHEMBL999224 0.85 TPSAB1 (0.50) GLATPSAB1TPSD1TPSG1GAA
Hydrochloric Acid SCHEMBL999223 0.83 TPSAB1 (0.49) GLATPSAB1TPSD1TPSG1POLB
SCHEMBL14905948 0.82 TSHR (0.66) TSHRTPSAB1TPSD1TPSG1LMNA
SCHEMBL25773746 0.82 TSHR (0.45) GLATSHRTPSAB1TPSD1TPSG1
Dimethyl Succinate SCHEMBL27941260 0.82 TSHR (0.72) GLATSHRLMNAPOLBMAPT
SCHEMBL12259096 0.81 GLA (0.54) GLATSHREPHX2EPHX1LMNA
SCHEMBL17576885 0.81 GLA (0.54) GLATSHREPHX2EPHX1LMNA
Hydrochloric Acid SCHEMBL15987604 0.81 TSHR (0.64) TSHRTPSAB1TPSD1TPSG1LMNA

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-117229215-A Biaryl compound, pharmaceutical composition containing biaryl compound, preparation method and application of biaryl compound 四川科伦博泰生物医药股份有限公司 2023-12-15 CN disclosed
CN-114096525-B Biaryl compound, pharmaceutical composition containing biaryl compound, preparation method and application of biaryl compound 四川科伦博泰生物医药股份有限公司 2023-10-13 CN disclosed
CN-114096525-A Biaryl compounds, pharmaceutical compositions containing them, processes for their preparation and their use 四川科伦博泰生物医药股份有限公司 2022-02-25 CN disclosed
WO-2021047407-A1 BIARYL COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-03-18 WO disclosed
US-9980967-B1 Method for overcoming drug resistance of EGFR mutation and cancerous stemness of human non-small cell lung carcinoma NATIONAL CHIAO TUNG UNIVERSITY (TW) 2018-05-29 US disclosed
US-9980967-B1 Method for overcoming drug resistance of EGFR mutation and cancerous stemness of human non-small cell lung carcinoma NATIONAL CHIAO TUNG UNIVERSITY (TW) 2018-05-29 US disclosed
US-9512086-B2 Compound for promoting apoptosis of cancer cells and a pharmaceutical composition containing the same and uses thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-12-06 US disclosed
US-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-03-10 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-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF BAX, BCL2, CASP3 GLA 4516/4885TSHR 4780/4885TPSAB1 3781/4885

“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.