Sugi Predict

Sugi Predict / Compounds / SCHEMBL4869141

SCHEMBL4869141

SCHEMBL4869141

CC(C)N(OP(OCc1ccccc1)OCc1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TAAR1 Q96RJ0 4/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SLC18A2 Q05940 1/20 0.36
▸ AGXT P21549 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34

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
SCHEMBL1552017 0.96 TSHR (0.39) TSHRKMT2AIDO1TAAR1SIGMAR1
SCHEMBL30002087 0.79 TSHR (0.43) TSHRIDO1TAAR1AGXTALDH1A1
SCHEMBL6601776 0.78 IDO1 (0.49) KMT2AIDO1ALDH1A1CA1CA2
SCHEMBL383496 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9052472 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL5425024 0.76 TSHR (0.40) TSHRIDO1AGXTALDH1A1MAPK1
SCHEMBL194803 0.76 TSHR (0.57) TSHRKMT2AIDO1AGXTALDH1A1
SCHEMBL18544225 0.76 TSHR (0.43) TSHRIDO1TAAR1SIGMAR1SLC18A2
SCHEMBL9008151 0.75 TSHR (0.39) TSHRKMT2AIDO1TAAR1SIGMAR1
SCHEMBL2252915 0.74 TSHR (0.41) TSHRKMT2AIDO1TAAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940024-B1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-12-05 — — EP claimed
US-9416144-B2 Benzoxazine oxazolidinone compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-16 — — US claimed
US-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-26 — — US claimed
EP-2940024-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-11-04 — — EP claimed
CN-115190893-A Method for producing polyether carbonate polyols 科思创德国股份有限公司 2022-10-14 — — CN disclosed
CN-107261148-B Methylphenidate prodrugs, methods of making and using the same 凯姆制药公司 2021-07-13 — — CN disclosed
CN-105566392-B A kind of preparation method of bacterio protein synthetic inhibitor 正大天晴药业集团股份有限公司 2018-12-21 — — CN disclosed
EP-2940024-B1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-12-05 — — EP disclosed
CN-105418678-B A kind of preparation method of Tedizolid Phosphate 正大天晴药业集团股份有限公司 2018-11-20 — — CN disclosed
CN-105837633-B A kind of preparation method of antimicrobial compound 正大天晴药业集团股份有限公司 2018-11-20 — — CN disclosed
CN-105837633-B A kind of preparation method of antimicrobial compound 正大天晴药业集团股份有限公司 2018-11-20 — — CN disclosed
CN-105418678-B A kind of preparation method of Tedizolid Phosphate 正大天晴药业集团股份有限公司 2018-11-20 — — CN disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 — — WO disclosed
US-5912264-A TAXANE DERIVATIVES AS ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-15 — — US disclosed
EP-0639977-A4 LIPID-A ANALOGS: NEW MONOSACCHARIDE AND DISACCHARIDE INTERMEDIATES FOR ELICITING THERAPEUTIC ANTIBODIES AND FOR ANTITUMOR AND ANTIVIRAL ACTIVITIES. IGEN INC (US) 1999-04-14 — — EP disclosed
US-5773461-A ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-30 — — US disclosed
US-5597573-A ADMINISTERING AS AN IMMUNOGEN IGEN, INC. (US) 1997-01-28 — — US disclosed
US-5593969-A TREATMENT OF SEPTICEMIA IGEN INCORPORATED (US) 1997-01-14 — — US disclosed
EP-0639977-A1 LIPID-A ANALOGS: NEW MONOSACCHARIDE AND DISACCHARIDE INTERMEDIATES FOR ELICITING THERAPEUTIC ANTIBODIES AND FOR ANTITUMOR AND ANTIVIRAL ACTIVITIES IGEN, INC. (US) 1995-03-01 — — EP disclosed
WO-1993019761-A1 LIPID-A ANALOGS: NEW MONOSACCHARIDE AND DISACCHARIDE INTERMEDIATES FOR ELICITING THERAPEUTIC ANTIBODIES AND FOR ANTITUMOR AND ANTIVIRAL ACTIVITIES IGEN, INC. (US) 1993-10-14 — — 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 (1 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-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF OXA1L, XDH, MYD88 TSHR 3818/4885KMT2A 4024/4885IDO1 2621/4885

“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.