Sugi Predict

Sugi Predict / Compounds / SCHEMBL219018

SCHEMBL219018

SCHEMBL219018

OCCCCc1cccs1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.59
▸ TSHR P16473 2/20 0.51
▸ ADRA2A P08913 3/20 0.48
▸ ADRA2B P18089 3/20 0.48
▸ ADRA2C P18825 3/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ POLB P06746 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL353364 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL5050713 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL6513168 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL921563 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL1310853 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL1309561 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL1309172 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL2076369 0.98 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL79243 0.93 — —
SCHEMBL20146704 0.89 TAAR1 (0.73) TAAR1TSHRADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824814-B Vegetable oil/inorganic nanoparticle composite super-hydrophobic coating solution and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2021-02-19 — — CN claimed
CN-117186129-A Method for preparing cis-allyl borate and allyl alcohol from cis/trans conjugated diene mixture 成都理工大学 2023-12-08 — — CN disclosed
CN-116437691-A Composite material, film, electroluminescent device and display device TCL科技集团股份有限公司 2023-07-14 — — CN disclosed
CN-116367583-A Light emitting device, manufacturing method of light emitting device and display device TCL科技集团股份有限公司 2023-06-30 — — CN disclosed
CN-115433508-B Single-component high-strength elastic coating and preparation method and application thereof 天津森聚柯密封涂层材料有限公司 2023-04-18 — — CN disclosed
CN-109824814-B Vegetable oil/inorganic nanoparticle composite super-hydrophobic coating solution and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2021-02-19 — — CN disclosed
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 — — US disclosed
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-06-29 — — US disclosed
WO-2015173168-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 — — WO disclosed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 — — EP disclosed
US-4812463-A CARBONIC ANHYDRASE INHIBITORS MERCK & CO., INC. (US) 1989-03-14 — — US disclosed
EP-0252640-A1 Alkanesulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1988-01-13 — — EP disclosed
EP-0221806-A1 Substituted thiophene-2-sulfanomide and antiglaucoma compositions containing them MERCK & CO. INC. (US) 1987-05-13 — — EP disclosed
US-4665090-A TOPICAL ADMINISTRATION MERCK & CO., INC. (US) 1987-05-12 — — US disclosed
EP-0032131-B1 5-HALO-PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NYEGAARD & CO. A/S (NO) 1983-09-21 — — EP disclosed
US-4399140-A CYTOTOXIC NYEGAARD & CO. A/S (NO) 1983-08-16 — — US disclosed
US-4350822-A Antilipidemicpara-[aryl(alkyl or alkenyl)amino]benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-21 — — US disclosed
EP-0032131-A1 5-Halo-pyrimidin-2-ones, the salts thereof, processes for their preparation and pharmaceutical compositions containing them NYEGAARD & CO. A/S (NO) 1981-07-15 — — EP disclosed
US-4246275-A Antilipidemic para-[thienyl and furyl (alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1981-01-20 — — US disclosed
US-4185115-A Antilipidemic para-[aryl(alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1980-01-22 — — 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-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments ASAH1, ASAH2, ACER2 TAAR1 3359/4885TSHR 4688/4885ADRA2A 1533/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 TAAR1 3359/4885TSHR 4688/4885ADRA2A 1533/4885

“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.