Sugi Predict

Sugi Predict / Compounds / SCHEMBL4170122

SCHEMBL4170122

SCHEMBL4170122

C=NNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.61
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ GAA P10253 3/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ MMP1 P03956 1/20 0.57
▸ MMP2 P08253 1/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ MMP13 P45452 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52

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
Bromobenzene SCHEMBL28221278 0.86 CA12 (0.51) F2PRSS1PRSS2PRSS3GAA
SCHEMBL11490369 0.83 F2 (0.58) F2PRSS1PRSS2PRSS3GAA
SCHEMBL2722831 0.83 F2 (0.61) F2PRSS1PRSS2PRSS3GAA
SCHEMBL27992704 0.81 RRM1 (0.53) F2PRSS1PRSS2PRSS3GAA
Methane SCHEMBL28216690 0.81 F2 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL8204252 0.81 F2 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL17189502 0.81 F2 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL14075075 0.80 CA1 (0.52) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL28454107 0.79 F2 (0.58) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6634591 0.78 F2 (0.71) F2PRSS1PRSS2PRSS3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145746-A Process method for synthesizing cyclopentene/ hexene-1-boronic acid pinacol cyclic ester LIANHUA CHEMISTRY CO LTD DALIAN 2013-06-12 — — CN claimed
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 — — US disclosed
US-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 — — US disclosed
CN-108147982-A The C-N coupling reaction techniques of the Tosylhydrazone of chemical property mutability 成都理工大学 2018-06-12 — — CN disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
CN-104114025-B Nematicide cis (miscellaneous) aryl cyclopropyl carboxamides derivatives 先正达参股股份有限公司 2017-11-07 — — CN disclosed
US-20170000132-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 — — US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
WO-2015097237-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 — — WO disclosed
WO-2004083205-A1 ANTIBACTERIAL 1, 3- OXAZOLIDIN -2- ONE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-30 — — WO disclosed
WO-2004083206-A1 ANTIBACTERIAL OXALIDINONES ASTRAZENECA AB (SE) 2004-09-30 — — WO disclosed
EP-1385844-A1 OXAZOLIDINONES CONTAINING A SULFONIMID GROUP AS ANTIBIOTICS Astrazeneca AB (SE) 2004-02-04 — — EP disclosed
WO-2003072576-A2 OXAZOLIDINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-09-04 — — WO disclosed
WO-2003072575-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-09-04 — — WO disclosed
WO-2002081470-A1 OXAZOLIDINONES CONTAINING A SULFONIMID GROUP AS ANTIBIOTICS ASTRAZENECA AB (SE) 2002-10-17 — — WO disclosed
EP-0734389-B1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 2000-03-29 — — EP disclosed
US-5912253-A 16-DEMETHOXY DERIVATIVES HAVING GREATER STABILITY AND BIOAVAILABILITY; FOR USE AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 1999-06-15 — — US disclosed
EP-0734389-A1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS Novartis AG (CH) 1996-10-02 — — EP disclosed
WO-1995016691-A1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS SANDOZ LTD. (CH) 1995-06-22 — — 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 (5 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-20220106312-A1 ACETAMIDO-PHENYLTETRAZOLE DERIVATIVES AND METHODS OF USING THE SAME ABCB1, CYP3A5, CYP3A7 F2 3060/4885PRSS1 1862/4885PRSS2 1663/4885
US-20170000132-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 F2 1860/4885PRSS1 3104/4885PRSS2 3025/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 F2 3060/4885PRSS1 1862/4885PRSS2 1663/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 F2 3705/4885PRSS1 1647/4885PRSS2 3401/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 F2 3705/4885PRSS1 1647/4885PRSS2 3401/4885

“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.