Sugi Predict

Sugi Predict / Compounds / SCHEMBL4588952

SCHEMBL4588952

SCHEMBL4588952

CC(C=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.47
▸ SLC1A2 P43004 2/20 0.47
▸ SLC1A1 P43005 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TSHR P16473 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ CTSB P07858 2/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AGXT P21549 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL6239311 1.00 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6172748 1.00 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17502411 0.85 TSHR (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17502415 0.85 TSHR (0.47) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL22096934 0.82 RCE1 (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7002707 0.82 RCE1 (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4854410 0.82 RCE1 (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7228724 0.82 TSHR (0.44) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4807929 0.81 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4807936 0.81 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796368-B Synthesis method of N' - [ (2S,3S) -2- (benzyloxy) pentan-3-yl ] formylhydrazine 浙江大学宁波理工学院 2021-11-02 — — CN claimed
CN-109651187-B Synthesis method of (S) -N' - (2-benzyloxypropylene) formylhydrazine 宁波新极新材料科技有限公司 2021-07-09 — — CN claimed
CN-108101759-B Method for synthesizing (S) -2-benzyloxy propionaldehyde 宁波新凯生物科技有限公司 2021-06-11 — — CN claimed
CN-108586280-B Method for synthesizing N' - [ (2S,3S) -2- (benzyloxy) pentan-3-yl ] formylhydrazine 宁波新极新材料科技有限公司 2020-11-10 — — CN claimed
CN-108191703-B Method for synthesizing (S) -N' - (2-benzyloxy propylene) formylhydrazine 宁波新极新材料科技有限公司 2020-07-07 — — CN claimed
CN-109796368-A A kind of synthetic method of N '-[(2S, 3S) -2-(benzyloxy) amyl- 3- yl] formylhydrazine 浙江大学宁波理工学院 2019-05-24 — — CN claimed
CN-109651132-A The synthetic method of one kind (S) -2- benzyloxy propionic aldehyde 宁波新凯生物科技有限公司 2019-04-19 — — CN claimed
CN-109651187-A The synthetic method of one kind (S)-N '-(2- benzyloxy propylidene) formylhydrazine 宁波新极新材料科技有限公司 2019-04-19 — — CN claimed
CN-108586280-A Synthesis N '-[（2S,3S）-2-（Benzyloxy）Amyl- 3- yls] formylhydrazine method 宁波新凯生物科技有限公司 2018-09-28 — — CN claimed
CN-108101759-A The method for synthesizing (S) -2- benzyloxy propionic aldehyde 宁波新凯生物科技有限公司 2018-06-01 — — CN claimed
EP-2758385-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LAB LTD (IN) 2018-03-28 — — EP claimed
WO-2016013033-A1 VINYLIC 3-AMINO-1,2 DIOLS COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-28 — — WO claimed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 — — US claimed
CN-103992197-A Chemical synthesis method of (S)-2-benzyloxy propionaldehyde/2-benzyloxy propionaldehyde and derivatives of (S)-2-benzyloxy propionaldehyde/2-benzyloxy propionaldehyde CHONGQING HUABANG SHENGKAI PHARMACEUTICAL CO LTD 2014-08-20 — — CN claimed
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 — — US claimed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 — — EP claimed
JP-7324092-A — — None — — JP disclosed
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 — — US disclosed
US-4617150-A MICROBIOCIDES HOFFMANN-LA ROCHE INC. (US) 1986-10-14 — — US disclosed
US-4576751-A ANTIBIOTICS HOFFMAN-LA ROCHE INC. (US) 1986-03-18 — — US 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-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof CYP3A4, CYP51A1, CYP1B1 SLC1A3 4320/4885SLC1A2 4646/4885SLC1A1 4217/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 SLC1A3 3837/4885SLC1A2 4223/4885SLC1A1 4238/4885

“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.