SCHEMBL28027

SCHEMBL28027

[CH2]c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.56
PTGS2 P35354 10/20 0.46
TGM2 P21980 1/20 0.44
PTGS1 P23219 2/20 0.43

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
SCHEMBL6295429 0.93 PTGS2 (0.52) ENPP2PTGS2PTGS1
SCHEMBL2376239 0.85 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL23145865 0.79 ENPP2 (0.41) ENPP2PTGS2
SCHEMBL2376235 0.78 ENPP2 (0.56) ENPP2PTGS2TGM2
SCHEMBL1751990 0.77 ENPP2 (0.50) ENPP2PTGS2TGM2
SCHEMBL16289366 0.77 AKR1C3 (0.49) ENPP2PTGS2
SCHEMBL10300269 0.77 PTGS2 (0.62) ENPP2PTGS2PTGS1
SCHEMBL17548700 0.77 ENPP2 (0.62) ENPP2PTGS2
SCHEMBL7677302 0.77 PTGS2 (0.62) ENPP2PTGS2PTGS1
SCHEMBL517832 0.74 ENPP2 (0.59) ENPP2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US claimed
CN-113620967-B Alpha-mangostin derivative and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2023-01-06 CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-113620967-A Alpha-mangostin derivative and preparation method and application thereof 广州中医药大学(广州中医药研究院) 2021-11-09 CN claimed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US claimed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 WO claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
US-10435376-B2 Derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2019-10-08 US claimed
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
US-5998468-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1999-12-07 US claimed
US-5922759-A Butenolide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1999-07-13 US claimed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US claimed
WO-1997037986-A1 ENDOTHELIN ANTAGONISTS WITH ETHER-LINKED GROUPS WARNER-LAMBERT COMPANY (US) 1997-10-16 WO claimed
WO-1997008169-A1 FURANONE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-06 WO claimed
WO-1997002265-A1 BUTENOLIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-23 WO claimed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP claimed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
EP-0011173-B1 PROCESS FOR PRODUCING ANTIBIOTIC BETA-LACTAM COMPOUNDS SANRAKU-OCEAN CO., LTD. (JP) 1983-05-11 EP claimed
US-4337199-A Antibiotic β-lactam compounds, production thereof, and their use as antimicrobial agent SANRAKU-OCEAN CO., LTD. (JP) 1982-06-29 US claimed

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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ENPP2 394/4885PTGS2 3056/4885TGM2 1250/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ENPP2 394/4885PTGS2 3056/4885TGM2 1250/4885
US-10435376-B2 Derivatives of 1H-imidazole-4,5-dicarboxamide and use thereof in preparation of anticoccidial drugs CYP3A5, DDC, CPS1 ENPP2 4260/4885PTGS2 1282/4885TGM2 2715/4885

“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.