Sugi Predict

Sugi Predict / Compounds / SCHEMBL987820

SCHEMBL987820

SCHEMBL987820

CCC1(NCc2ccccc2)C=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ IDO1 P14902 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 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
SCHEMBL29045567 1.00 MAPT (0.36) MAPTKDM4ECYP3A4IDO1TDP1
SCHEMBL27945894 1.00 MAPT (0.36) MAPTKDM4ECYP3A4IDO1TDP1
SCHEMBL29700255 0.87 MAOA (0.34) MAPTKDM4ECYP3A4IDO1TDP1
SCHEMBL5732886 0.79 NPC1 (0.33) IDO1RAB9A
SCHEMBL9360928 0.78 SIGMAR1 (0.44) CYP3A4MEN1KMT2ARAB9A
SCHEMBL28719762 0.76 ALDH1A1 (0.47) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL15227913 0.75 OPRM1 (0.35) MAPTKDM4ECYP3A4TDP1MEN1
SCHEMBL1148425 0.75 HIF1A (0.34) CA12
SCHEMBL15227868 0.74 SMN1; SMN2 (0.36) MAPTKDM4ECYP3A4TDP1MEN1
Acetic Acid SCHEMBL28722941 0.73 ALDH1A1 (0.50) TDP1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755522-B Radiation-curable water-dispersible polyurethane (methyl) acrylate 巴斯夫欧洲公司 2018-11-13 — — CN claimed
US-9938282-B2 Expedient synthesis of sitagliptin STEREOKEM, INC. (US) 2018-04-10 — — US claimed
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. 2017-06-29 — — US claimed
CN-103819475-B Synthetic method of sitagliptin and salt thereof 浙江新和成股份有限公司 2017-04-19 — — CN claimed
CN-106536523-A Expedient synthesis of sitagliptin 斯特里奥肯公司 2017-03-22 — — CN claimed
CN-104628892-B Preparation method and use of 6-benzyl phenylethylamine derivative beta-cyclodextrin bonded SBA-15 南昌大学 2017-02-22 — — CN claimed
CN-114736367-B Green and safe gas-liquid heterogeneous synthesis method for polyarylether 常州中英科技股份有限公司 2024-03-01 — — CN disclosed
CN-114716666-B Polyarylether synthesis method based on gas-liquid heterogeneous method and continuous flow micro-channel reactor 常州中英科技股份有限公司 2024-03-01 — — CN disclosed
CN-114805342-A Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and use thereof 赛弗卢尔生命科学公司 2022-07-29 — — CN disclosed
CN-104755522-B Radiation-curable water-dispersible polyurethane (methyl) acrylate 巴斯夫欧洲公司 2018-11-13 — — CN disclosed
US-9938282-B2 Expedient synthesis of sitagliptin STEREOKEM, INC. (US) 2018-04-10 — — US disclosed
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN STEREOKEM, INC. 2017-06-29 — — US disclosed
CN-103819475-B Synthetic method of sitagliptin and salt thereof 浙江新和成股份有限公司 2017-04-19 — — CN disclosed
EP-2275427-B1 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO PERFUMERY CO LTD (JP) 2013-09-11 — — EP disclosed
US-8404879-B2 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-26 — — US disclosed
EP-2275427-A1 Ruthenium-diamine complex and methods for producing optically active compounds Takasago International Corporation (JP) 2011-01-19 — — EP disclosed
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-01-13 — — US disclosed
EP-0901996-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES MITSUI CHEMICALS INC (JP) 2006-02-01 — — EP disclosed
US-6222072-B1 RACTING IMINE WITH HYDRIDE REAGENT IN PRESENCE OF OPTICALLY ACTIVE METAL COMPOUND, WHEREIN HYDRIDE REAGENT IS A METAL HYDRIDE, REAGENT THAT UNDERGOES METAL EXCHANGE, METAL TRIALKOXY HYDRIDE COMPLEX OR METAL(TRICARBOXYLIC ACID)HYDRIDE MITSUI CHEMICALS INC. (JP) 2001-04-24 — — US disclosed
EP-0901996-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES Mitsui Chemicals, Inc. (JP) 1999-03-17 — — 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 (2 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-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A MAPT 1641/4885KDM4E 1004/4885CYP3A4 173/4885
US-20170183351-A1 EXPEDIENT SYNTHESIS OF SITAGLIPTIN DPP4, DPP7, DPP8 MAPT 3687/4885KDM4E 1679/4885CYP3A4 64/4885

“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.