Sugi Predict

Sugi Predict / Compounds / SCHEMBL245250

SCHEMBL245250

SCHEMBL245250

CCOC(=O)c1ccc(CBr)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.63
▸ CA2 P00918 3/20 0.63
▸ CA12 O43570 2/20 0.63
▸ CA7 P43166 2/20 0.63
▸ CA9 Q16790 2/20 0.63
▸ CA14 Q9ULX7 2/20 0.63
▸ ESR1 P03372 1/20 0.63
▸ ESR2 Q92731 1/20 0.63
▸ LMNA P02545 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAOA P21397 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP4F2 P78329 1/20 0.57
▸ CYP4A11 Q02928 1/20 0.57
▸ HPGD P15428 4/20 0.54
▸ HTT P42858 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51

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
SCHEMBL5863191 0.95 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL8373733 0.93 SMN1; SMN2 (0.56) CA1CA2CA12CA7CA9
SCHEMBL8026628 0.92 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL28636737 0.86 KMT2A (0.53) CA1CA2CA12CA7CA9
SCHEMBL128190 0.86 CA1 (0.70) CA1CA2CA12CA7CA9
SCHEMBL87450 0.85 CA1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL348611 0.85 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL8617188 0.85 ALDH1A1 (0.66) ESR1LMNACYP1A2CYP3A4MAOA
SCHEMBL7980311 0.85 ESR1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL12199135 0.84 CA1 (0.68) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546075-A Isosteviol and steviol derivative containing hydroxamic acid groups as well as preparation method and application thereof 新乡医学院 2024-08-27 — — CN claimed
CN-113980117-B Fenpyroximate antigen and preparation method and application thereof 西南大学 2024-07-12 — — CN claimed
CN-118221674-A Pyrrolo [3,2-b ] pyridine Top/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 — — CN claimed
CN-118206417-A Cobalt catalytic dehalogenation deuteration method 中国科学院大连化学物理研究所 2024-06-18 — — CN claimed
CN-117820460-A Methoxypiperidine ethyl antigen and preparation method and application thereof 西南大学 2024-04-05 — — CN claimed
CN-113980117-A Fenpyroximate antigen and preparation method and application thereof 西南大学 2022-01-28 — — CN claimed
CN-108623488-B Synthetic method of aminomethylbenzoic acid 湖南文理学院 2021-10-01 — — CN claimed
CN-111375069-A Targeted-release polyethylene glycol modified paclitaxel medicament and preparation method thereof 福建齐衡科技有限公司 2020-07-07 — — CN claimed
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-03-17 — — US claimed
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-01-30 — — US claimed
CN-108623488-A A kind of synthetic method of aminomethylbenzoic acid 湖南文理学院 2018-10-09 — — CN claimed
CN-106117242-B Tetrahydric thiapyran miazines derivative and the preparation method and application thereof 山东大学 2018-08-03 — — CN claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 — — US claimed
CN-106117242-A Tetrahydric thiapyran miazines derivative and preparation method and application 山东大学 2016-11-16 — — CN claimed
CN-103232396-A Three selective ionic liquids and synthesizing method thereof UNIV BEIJING TECHNOLOGY 2013-08-07 — — CN claimed
CN-103159781-A Monomer and polymer of carboxyl-functionalized (3,4-ethylenedioxythiophene) and preparation method thereof UNIV JIANGXI NORMAL SCI & TECH 2013-06-19 — — CN claimed
US-20260124191-A1 HISTONE DEACETYLASE INHIBITOR AND USES THEREOF NANJING HONGSHUN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2026-05-07 — — US disclosed
EP-4725940-A1 HISTONE DEACETYLASE INHIBITOR AND USE Nanjing Hongshun Pharmaceutical Technology Co., Ltd (CN) 2026-04-15 — — EP disclosed
US-4078081-A Cyclopentane derivatives manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-07 — — US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 — — 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 (3 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-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT CA1 4590/4885CA2 4084/4885CA12 4450/4885
US-20260124191-A1 HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC3, HDAC2 CA1 909/4885CA2 785/4885CA12 2109/4885
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT CA1 4590/4885CA2 4084/4885CA12 4450/4885

“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.