SCHEMBL2253157

SCHEMBL2253157

CCCCCCCCc1cccc2c[c]ccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.43
▸ LIPG Q9Y5X9 1/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ BID P55957 3/20 0.40
▸ MCL1 Q07820 3/20 0.40
▸ BCL2L1 Q07817 2/20 0.40
▸ BAK1 Q16611 2/20 0.40
▸ KAT8 Q9H7Z6 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ KAT2A Q92830 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ KAT5 Q92993 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ OXER1 Q8TDS5 1/20 0.37
▸ BCHE P06276 1/20 0.37

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
SCHEMBL5748971 1.00 TLR8 (0.43) TLR8LIPGKCNH2BIDMCL1
SCHEMBL2253305 1.00 TLR8 (0.43) TLR8LIPGKCNH2BIDMCL1
SCHEMBL1973584 0.98 TLR8 (0.42) TLR8LIPGKCNH2BIDMCL1
SCHEMBL2253163 0.94 BCHE (0.39) TLR8LIPGKCNH2ALOX5PTGS2
SCHEMBL2256150 0.88 KCNH2 (0.46) TLR8LIPGKCNH2BIDMCL1
SCHEMBL2251965 0.88 KCNH2 (0.46) TLR8LIPGKCNH2BIDMCL1
SCHEMBL5751155 0.88 KCNH2 (0.46) TLR8LIPGKCNH2BIDMCL1
SCHEMBL8620581 0.87 NQO2 (0.35) BCHE
SCHEMBL2256018 0.84 TLR8 (0.41) TLR8LIPGKCNH2BIDMCL1
SCHEMBL2252218 0.84 TLR8 (0.41) TLR8LIPGKCNH2BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916244-B1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-12-04 — — EP disclosed
EP-1882694-B1 OLIGOMERS AND POLYMERS OF THIOPHENE COMPOUNDS HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-04-03 — — EP disclosed
US-8030438-B2 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-04 — — US disclosed
US-8008425-B2 Thiophene compound having sulfonyl group and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-30 — — US disclosed
US-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2010-01-28 — — US disclosed
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 — — US disclosed
EP-1916244-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-04-30 — — EP disclosed
EP-1882694-A1 THIOPHENE COMPOUND HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-01-30 — — EP disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 — — US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 — — EP 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-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same RRP12, NR2E1, TST TLR8 782/4885LIPG 4652/4885KCNH2 2972/4885
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME TST, ABCG2, CBR3 TLR8 3921/4885LIPG 3703/4885KCNH2 104/4885

“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.

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