SCHEMBL827508

SCHEMBL827508

CCCC(=O)c1ccc2ccsc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 4/20 0.54
▸ WNT3A P56704 4/20 0.54
▸ HPGD P15428 5/20 0.49
▸ HSD17B3 P37058 1/20 0.47
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHRNA7 P36544 3/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ MEN1 O00255 1/20 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
SCHEMBL6327569 0.87 CTNNB1 (0.70) CTNNB1WNT3AHPGDHSD17B3RAB9A
SCHEMBL6335648 0.87 CTNNB1 (0.49) CTNNB1WNT3AHPGDRAB9ASMN1; SMN2
SCHEMBL12676650 0.81 CTNNB1 (0.50) CTNNB1WNT3AHPGDRAB9ASMN1; SMN2
SCHEMBL1819455 0.81 CTNNB1 (0.48) CTNNB1WNT3AHPGDRAB9ASMN1; SMN2
SCHEMBL25572498 0.80 CTNNB1 (0.43) CTNNB1WNT3ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL25572528 0.79 CTNNB1 (0.46) CTNNB1WNT3AHPGDRAB9ASMN1; SMN2
SCHEMBL26958041 0.79 HSD17B3 (0.61) HPGDHSD17B3RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3797885 0.78 CA2 (0.49) CTNNB1WNT3AHPGDRAB9AALDH1A1
SCHEMBL26722625 0.76 CTNNB1 (0.46) CTNNB1WNT3AHPGDRAB9ASMN1; SMN2
SCHEMBL827411 0.76 CA12 (0.53) HPGDRAB9ASMN1; SMN2ALDH1A1NPC1

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
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 — — US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 — — US disclosed
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 — — US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 — — US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 — — US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 — — EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 — — US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 — — US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 — — US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 — — 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 (4 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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 CTNNB1 2458/4885WNT3A 1865/4885HPGD 1883/4885
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS CTNNB1 3662/4885WNT3A 1951/4885HPGD 3680/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS CTNNB1 3056/4885WNT3A 1261/4885HPGD 3611/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CTNNB1 3662/4885WNT3A 1951/4885HPGD 3680/4885

“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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