SCHEMBL3329915

SCHEMBL3329915

Cc1ccc2c(c1)SCCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.47
WNT3A P56704 5/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX2 P34913 1/20 0.36
MMP12 P39900 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL19492343 0.86 MAPT (0.42) CTNNB1WNT3AALDH1A1GAAMAPT
SCHEMBL13840329 0.85 CTNNB1 (0.37) CTNNB1WNT3AALDH1A1GAAMAPT
SCHEMBL3356952 0.80 MAPT (0.39) ALDH1A1GAAMAPTHSD17B10EPHX2
SCHEMBL20741917 0.77 LMNA (0.48) CTNNB1WNT3AGAAMAPTNPC1
SCHEMBL20786544 0.77 MAPT (0.47) CTNNB1WNT3AALDH1A1GAAMAPT
SCHEMBL5878708 0.77 CTNNB1 (0.50) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL13075986 0.77 CTNNB1 (0.47) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL13035785 0.77 CTNNB1 (0.43) CTNNB1WNT3AMAPTLMNASLC5A2
SCHEMBL15627021 0.77 CTNNB1 (0.46) CTNNB1WNT3AMAPTNPC1RAB9A
SCHEMBL18352140 0.77 KDM4E (0.47) CTNNB1WNT3AALDH1A1GAAMAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311528-B2 Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
EP-3473621-B1 METHOD FOR PRODUCING DIPHENYLMETHANE DERIVATIVE DAE WOONG PHARMA (KR) 2021-08-04 EP disclosed
US-20210052573-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-02-25 US disclosed
EP-3663292-A1 DIPHENYLMETHANE DERIVATIVE IN CRYSTALLINE FORM Daewoong Pharmaceutical Co., Ltd. (KR) 2020-06-10 EP disclosed
EP-3473621-A1 METHOD FOR PRODUCING DIPHENYLMETHANE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2019-04-24 EP disclosed
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 US disclosed
EP-2714032-B1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS GREEN CROSS CORP (KR) 2019-01-16 EP disclosed
WO-2017217792-A1 METHOD FOR PRODUCING DIPHENYLMETHANE DERIVATIVE 주식회사 대웅제약 2017-12-21 WO disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-20140213642-A1 NOVEL C-ARYL ANSA SGLT2 INHIBITORS GREEN CROSS CORPORATION (KR) 2014-07-31 US disclosed
US-20140088079-A1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS GREEN CROSS CORPORATION (KR) 2014-03-27 US disclosed
EP-2493880-B1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES DU PONT (US) 2013-09-18 EP disclosed
US-20130102468-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-04-25 US disclosed
US-20130102468-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-04-25 US disclosed
WO-2012165914-A2 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS GREEN CROSS CORPORATION (KR) 2012-12-06 WO disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
WO-2012002096-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-05 WO disclosed
WO-2011059619-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 WO 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 (8 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-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES CBR3, CBR1, CYP2S1 CTNNB1 3818/4885WNT3A 4337/4885ALDH1A1 3110/4885
US-11311528-B2 Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors STING1, MAVS, CGAS CTNNB1 4359/4885WNT3A 4573/4885ALDH1A1 4060/4885
US-20140088079-A1 NOVEL DIPHENYLMETHANE DERIVATIVES AS SGLT2 INHIBITORS SLC5A2, SLC5A1, SLC2A8 CTNNB1 1259/4885WNT3A 2902/4885ALDH1A1 1061/4885
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 CTNNB1 4438/4885WNT3A 2248/4885ALDH1A1 144/4885
US-20140213642-A1 NOVEL C-ARYL ANSA SGLT2 INHIBITORS SLC5A2, SLC5A1, SLC2A1 CTNNB1 2487/4885WNT3A 3157/4885ALDH1A1 550/4885
US-20130102468-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES CBR3, DDT, CBR1 CTNNB1 3393/4885WNT3A 1197/4885ALDH1A1 272/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 CTNNB1 4438/4885WNT3A 2248/4885ALDH1A1 144/4885
US-20210052573-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS STING1, MAVS, CGAS CTNNB1 4359/4885WNT3A 4573/4885ALDH1A1 4060/4885

“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.