SCHEMBL67309

SCHEMBL67309

[NH]S(=O)(=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.58
▸ CA1 P00915 3/20 0.58
▸ PRSS1 P07477 2/20 0.58
▸ PRSS2 P07478 2/20 0.58
▸ PRSS3 P35030 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ FAAH O00519 1/20 0.58
▸ ELANE P08246 1/20 0.58
▸ PRTN3 P24158 1/20 0.58
▸ CA5A P35218 1/20 0.58
▸ MMP1 P03956 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ TSHR P16473 3/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL8577557 0.79 CA2 (0.58) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL88641 0.78 CA2 (0.64) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL28332352 0.76 CA2 (0.61) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL57239 0.76 CA2 (0.61) CA2CA1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11574583 0.76 CA2 (0.61) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL8789586 0.75 CA2 (0.54) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL31631411 0.75 PRSS1 (0.67) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL22610180 0.75 CA2 (0.54) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL2337896 0.75 CA2 (0.53) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL6524000 0.75 KMT2A (0.48) CA2CA1CA9KMT2A

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 1312 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033157-B Bisbenzylisoquinoline derivative and application thereof in preparing medicament for treating or preventing tumor 贵州省中国科学院天然产物化学重点实验室 2020-05-05 — — CN claimed
US-10189812-B2 Bi-benzyl isoquinoline derivative, preparation method and use thereof in hepatopathy treatment and prevention THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUC (CN) 2019-01-29 — — US claimed
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 — — EP claimed
EP-3071559-B1 (HETERO)ARYLAMIDES FOR CONTROLLING ENDOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2018-01-10 — — EP claimed
US-9820488-B2 Compounds for the control of endoparasites ELANCO TIERGESUNDHEIT AG (CH) 2017-11-21 — — US claimed
US-20170260161-A1 BI-BENZYL ISOQUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF IN HEPATOPATHY TREATMENT AND PREVENTION VERSITECH LIMITED (CN) 2017-09-14 — — US claimed
EP-2882733-B1 SUBSTITUTED AZINES AS PESTICIDES NOVARTIS TIERGESUNDHEIT AG (CH) 2017-04-26 — — EP claimed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 — — EP claimed
EP-3071559-A1 New Compounds Novartis Tiergesundheit AG (CH) 2016-09-28 — — EP claimed
US-20160251335-A1 NEW COMPOUNDS ELANCO TIERGESUNDHEIT AG (CH) 2016-09-01 — — US claimed
EP-0176472-B1 METHINE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1990-01-24 — — EP claimed
US-4883866-A DYEING PAPER CIBA-GEIGY CORPORATION (US) 1989-11-28 — — US claimed
EP-0330026-A1 Piperidinoalkyl derivatives of carboxylic acid amides Takeda Chemical Industries, Ltd. (JP) 1989-08-30 — — EP claimed
EP-0176473-B1 METHINE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1989-07-19 — — EP claimed
US-4754021-A DYEING PAPER, POLYACRYLONITRILE, POLYESTERS CIBA-GEIGY CORPORATION (US) 1988-06-28 — — US claimed
EP-0176474-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 — — EP claimed
EP-0176472-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 — — EP claimed
EP-0129128-A2 2-Pyrimidinyl-1-piperazine derivatives, process for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1984-12-27 — — EP claimed
US-4309221-A ORGANIC PIGMENTS FOR MACROMOLECULAR SUBSTANCES;GOOD FASTNESS AND HEAT RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1982-01-05 — — US claimed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20170260161-A1 BI-BENZYL ISOQUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF IN HEPATOPATHY TREATMENT AND PREVENTION SLC10A1, SLC10A2, CYP4B1 CA2 1644/4885CA1 2589/4885PRSS1 1763/4885
US-20160251335-A1 NEW COMPOUNDS DDT, ACHE, PTMS CA2 38/4885CA1 204/4885PRSS1 950/4885
US-10189812-B2 Bi-benzyl isoquinoline derivative, preparation method and use thereof in hepatopathy treatment and prevention SLC10A1, SLC10A2, CYP4B1 CA2 1644/4885CA1 2589/4885PRSS1 1763/4885

“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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