SCHEMBL6589802

SCHEMBL6589802

CS(=O)(=O)OCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.66
CA2 P00918 4/20 0.66
CA9 Q16790 3/20 0.66
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL28745712 0.98 CA1 (0.63) CA1CA2CA9POLBCA12
SCHEMBL3258334 0.89 CA2 (0.50) CA1CA2CA9CA12ALDH1A1
SCHEMBL6041848 0.89 CA1 (0.53) CA1CA2CA9POLBCA12
SCHEMBL1938089 0.89 CA1 (0.53) CA1CA2CA9
SCHEMBL491533 0.88 POLB (0.53) CA1CA2CA9POLBALDH1A1
SCHEMBL2658522 0.86 KDM4E (0.56) CA1CA2CA9POLBALDH1A1
SCHEMBL19169156 0.86 CA1 (0.50) CA1CA2CA9POLBCA12
SCHEMBL24041893 0.85 FFAR1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL5691423 0.85 AR (0.56) CA1CA2CA9CA12CA7
SCHEMBL10390508 0.85 KDM4E (0.54) CA1CA2CA9POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480455-B Preparation method of mirabegron related substance and intermediate thereof 浙江恒康药业股份有限公司 2023-03-24 CN claimed
CN-111505163-B Method for detecting phenethyl methane sulfonate substances 上海博悦生物科技有限公司 2021-02-12 CN claimed
CN-111505163-A Method for detecting phenethyl methane sulfonate substances 上海博悦生物科技有限公司 2020-08-07 CN claimed
CN-116194439-B SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2025-04-08 CN disclosed
CN-112218853-B Process for the stereoselective preparation of chiral 2- [ (hetero) aralkylthio ] pyrimidines and products obtainable therefrom 坎塞拉有限公司 2024-07-02 CN disclosed
CN-111936498-B N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-04-16 CN disclosed
US-20240116876-A1 SOCE Inhibitors and Therapeutic Uses Thereof Institut National de la Santé et de la Recherche Médicale (FR) 2024-04-11 US disclosed
CN-117186108-A Bruton's tyrosine kinase degradation agent 诺华股份有限公司 2023-12-08 CN disclosed
CN-111936501-B Bruton's tyrosine kinase degradation agent 诺华股份有限公司 2023-09-22 CN disclosed
CN-116676101-A Sulfur-containing low-temperature molten salt and application thereof in removal of aromatic sulfides in fuel oil 安阳工学院 2023-09-01 CN disclosed
CN-116194439-A SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2023-05-30 CN disclosed
EP-0161904-B1 TETRAHYDROFURANYL AND TETRAHYDROTHIENYL SUBSTITUTED ETHERS E.R. Squibb & Sons, Inc. (US) 1989-10-18 EP disclosed
EP-0163416-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4751240-A ANTIFERTILITY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-14 US disclosed
WO-1986004893-A1 PROCESS FOR THE PREPARATION OF ALKYL FLUORIDES ZAMBON S.P.A. (IT) 1986-08-28 WO disclosed
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP disclosed
EP-0161904-A2 Tetrahydrofuranyl and tetrahydrothienyl substituted ethers E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed
US-4542151-A CARDIOVASCULAR, BRONCHODILATION, ANALGESICS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1985-09-17 US disclosed
US-4521539-A ANALGESICS, CARDIONVASCULAR AND ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-06-04 US disclosed
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 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 (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-20240116876-A1 SOCE Inhibitors and Therapeutic Uses Thereof STIM1, ORAI1, STIM2 CA1 1138/4885CA2 38/4885CA9 1100/4885

“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.