SCHEMBL1827334

SCHEMBL1827334

CCC(C)c1ccccc1OS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38
PPARA Q07869 1/20 0.36

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
SCHEMBL1824458 0.87 SMN1; SMN2 (0.41) TSHRL3MBTL1CA1CA2ACHE
SCHEMBL1825108 0.82 ALDH1A1 (0.47) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL3511751 0.82 L3MBTL1 (0.47) L3MBTL1CA1CA2ACHE
SCHEMBL1824964 0.81 LMNA (0.36) L3MBTL1ATMALDH1A1LMNA
SCHEMBL23043440 0.81 TSHR (0.46) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL1827268 0.79 CA1 (0.40) KDM4EL3MBTL1CA1CA2ACHE
SCHEMBL1827115 0.79 ACHE (0.40) L3MBTL1ALDH1A1CA1CA2ACHE
SCHEMBL1827694 0.79 LMNA (0.49) TSHRHTTALDH1A1CA1CA2
SCHEMBL1822253 0.78 ALDH1A1 (0.39) KDM4EL3MBTL1HTTALDH1A1LMNA
SCHEMBL19314294 0.77 TSHR (0.57) TSHRKDM4EL3MBTL1ATMNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 CN disclosed
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 TSHR 1200/4885KDM4E 2554/4885L3MBTL1 2772/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885KDM4E 2704/4885L3MBTL1 4827/4885

“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.