Sugi Predict

Sugi Predict / Compounds / SCHEMBL121398

SCHEMBL121398

SCHEMBL121398

CC(C)(CO)COB(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.36
▸ TRPV6 Q9H1D0 3/20 0.35
▸ PCSK9 Q8NBP7 2/20 0.35
▸ ORAI1 Q96D31 2/20 0.35
▸ ORAI2 Q96SN7 2/20 0.35
▸ ORAI3 Q9BRQ5 2/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TRPM2 O94759 1/20 0.32

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
SCHEMBL4861035 0.90 MGLL (0.43) DGAT1ALDH1A1TSHRHPGD
1-Heptanol SCHEMBL6701761 0.87 PCSK9 (0.40) PCSK9ALDH1A1TSHRMEN1CYP3A4
SCHEMBL532798 0.86 DGAT1 (0.32) DGAT1
SCHEMBL14312139 0.86 LPL (0.38) ENPP2TSHR
SCHEMBL17221793 0.83 ORAI1 (0.39) TRPV6ORAI1ORAI2ORAI3KDM4E
SCHEMBL14312208 0.81 CA2 (0.40) ENPP2TSHR
SCHEMBL2112250 0.81 CHRNB2 (0.33) ALDH1A1CYP1A2CYP3A4THRBTDP1
SCHEMBL7426269 0.80 PCSK9 (0.34) PCSK9
SCHEMBL3751947 0.79 ENPP2 (0.38) ENPP2
SCHEMBL6703144 0.78 NPC1 (0.35) ENPP2KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290239-A Nickel-catalyzed method for 1, 3-conjugated diene number 3 selective Heck reaction 中国科学院大连化学物理研究所 2024-07-05 — — CN claimed
CN-112250702-B Preparation method of o-nitrilo-phenylboronic acid-1, 3-propanediol ester 沧州普瑞东方科技有限公司 2023-07-25 — — CN claimed
US-10696696-B1 Method for preparing phenylboronic acid neopentyl glycol ester SOOCHOW UNIVERSITY (CN) 2020-06-30 — — US claimed
US-20200181173-A1 METHOD FOR PREPARING PHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER SOOCHOW UNIVERSITY (CN) 2020-06-11 — — US claimed
US-20180269528-A1 ELECTROLYTE FOR LTO TYPE LITHIUM ION BATTERIES SHENZHEN CAPCHEM TECHNOLOGY CO., LTD (CN) 2018-09-20 — — US claimed
US-20170317385-A1 Electrolyte Compositions For Rechargeable Lithium Ion Batteries BASF CORPORATION (US) 2017-11-02 — — US claimed
US-12012639-B2 Processes for isolation and recovery of C5 sugars UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2024-06-18 — — US disclosed
WO-2023000616-A1 METHOD FOR PREPARING BIFENAZATE 帕潘纳(北京)科技有限公司 2023-01-26 — — WO disclosed
US-20210071273-A1 PROCESSES FOR ISOLATION AND RECOVERY OF C5 SUGARS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2021-03-11 — — US disclosed
EP-3710603-A1 PROCESSES FOR ISOLATION AND RECOVERY OF C5 SUGARS University Of Louisville Research Foundation, Inc. (US) 2020-09-23 — — EP disclosed
US-10696696-B1 Method for preparing phenylboronic acid neopentyl glycol ester SOOCHOW UNIVERSITY (CN) 2020-06-30 — — US disclosed
US-10696696-B1 Method for preparing phenylboronic acid neopentyl glycol ester SOOCHOW UNIVERSITY (CN) 2020-06-30 — — US disclosed
US-10696696-B1 Method for preparing phenylboronic acid neopentyl glycol ester SOOCHOW UNIVERSITY (CN) 2020-06-30 — — US disclosed
WO-2017173668-A1 METHOD FOR PREPARING PHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER 苏州大学张家港工业技术研究院 2017-10-12 — — WO disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 — — US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 — — US disclosed
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-19 — — US disclosed
EP-2424517-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc (JP) 2012-03-07 — — EP disclosed
WO-2010125831-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2010-11-04 — — 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 DGAT1 3320/4885TRPV6 662/4885PCSK9 1432/4885
US-10696696-B1 Method for preparing phenylboronic acid neopentyl glycol ester ME1, PHOSPHO1, PNKP DGAT1 2263/4885TRPV6 1390/4885PCSK9 3990/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 DGAT1 3320/4885TRPV6 662/4885PCSK9 1432/4885
US-20200181173-A1 METHOD FOR PREPARING PHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER ME1, PHOSPHO1, PNKP DGAT1 2263/4885TRPV6 1390/4885PCSK9 3990/4885
US-20120094964-A1 SULFAMOYL BENZOIC ACID DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM5, TRPM6 DGAT1 1696/4885TRPV6 9/4885PCSK9 1659/4885

“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.