Sugi Predict

Sugi Predict / Compounds / SCHEMBL3376273

SCHEMBL3376273

SCHEMBL3376273

Cc1nn(C)c(C)c1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ FPR2 P25090 7/20 0.38
▸ PROKR1 Q8TCW9 7/20 0.38

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
SCHEMBL8232738 0.80 TSHR (0.45) TSHRALDH1A1NPSR1CA12CA2
SCHEMBL1626536 0.79 L3MBTL1 (0.42) CA12CA1CA2CA4CA6
SCHEMBL28327562 0.79 CA12 (0.35) TSHRALDH1A1NPSR1CA12CA1
SCHEMBL347771 0.78 TSHR (0.44) TSHRALDH1A1NPSR1MAPTCHRM5
SCHEMBL3069717 0.78 KDM4E (0.53) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL4895697 0.78 TSHR (0.44) TSHRALDH1A1NPSR1MAPTCHRM5
Hydrochloric Acid SCHEMBL14759214 0.77 KDM4E (0.51) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL14468543 0.77 ALDH1A1 (0.48) TSHRALDH1A1NPSR1KDM4EMAPT
SCHEMBL9195393 0.76 FPR2 (0.37) ALDH1A1NPSR1CA12CA1CA2
SCHEMBL13290812 0.75 ALDH1A1 (0.43) TSHRALDH1A1NPSR1MAPTCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3812379-A1 CRYSTALLINE FORM OF A N-(PYRAZOL-4-YL)SULFONYL-6-(PYRAZOL-1-YL)-2-(PYRROLIDIN-1-YL)PYRIDINE-3-CARBOXAMIDE FOR TREATING CYSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2021-04-28 — — EP disclosed
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 — — US disclosed
EP-3551622-B1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMA (US) 2020-10-07 — — EP disclosed
CN-106061963-B Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2019-10-22 — — CN disclosed
WO-2018107100-A1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 — — WO disclosed
US-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 — — US disclosed
CN-107406421-A SGC STIMULATORS 铁木医药有限公司 2017-11-28 — — CN disclosed
EP-3194386-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-07-26 — — EP disclosed
CN-106061963-A Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2016-10-26 — — CN disclosed
CN-104507928-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2016-09-28 — — CN disclosed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 — — US disclosed
US-8735588-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-27 — — US disclosed
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-27 — — US disclosed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 — — US disclosed
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 — — WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 — — 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 (6 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD TSHR 4310/4885ALDH1A1 530/4885NPSR1 2715/4885
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 TSHR 3112/4885ALDH1A1 2283/4885NPSR1 50/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 TSHR 3112/4885ALDH1A1 2283/4885NPSR1 50/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 TSHR 3112/4885ALDH1A1 2283/4885NPSR1 50/4885
US-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 TSHR 2229/4885ALDH1A1 1902/4885NPSR1 2507/4885
US-20180155345-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 TSHR 2229/4885ALDH1A1 1902/4885NPSR1 2507/4885

“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.