SCHEMBL3685286

SCHEMBL3685286

CCCCNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
NPY1R P25929 1/20 0.63
NPY5R Q15761 1/20 0.63
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
CYP19A1 P11511 1/20 0.57
HTR7 P34969 3/20 0.56

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
SCHEMBL3685227 0.95 ALDH1A1 (0.66) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL9942078 0.94 NPY1R (0.67) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL3687222 0.90 ALDH1A1 (0.65) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL10194532 0.84 ALDH1A1 (0.68) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL6791530 0.84 ALDH1A1 (0.68) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL3687956 0.83 L3MBTL1 (0.66) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL25759741 0.83 ALDH1A1 (0.66) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL30390387 0.83 ALDH1A1 (0.66) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL1928807 0.83 CYP1A2 (0.67) ALDH1A1NPY1RNPY5RLMNAGAA
SCHEMBL8330125 0.83 ALDH1A1 (0.52) ALDH1A1NPY1RNPY5RLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-07-22 US disclosed
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed
US-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-07-07 US disclosed
US-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-07-07 US disclosed
CN-113853372-A Thio-heterocyclic exchange chemistry and uses thereof 弗吉尼亚大学专利基金委员会 2021-12-28 CN disclosed
EP-3924348-A2 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF University of Virginia Patent Foundation (US) 2021-12-22 EP disclosed
WO-2020214336-A9 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-11-19 WO disclosed
WO-2020214336-A2 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-10-22 WO disclosed
US-20180181000-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-06-28 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
CN-1751037-A Sulfonamide derivatives as PPAR modulators LILLY CO ELI (US) 2006-03-22 CN disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed
US-6541276-B2 Nucleophilic reaction of alkoxyamine VERSICOR, INC. 2003-04-01 US disclosed
US-6448058-B1 METHOD OF INHIBITING A PEPTIDE DEFORMYLASE, THE METHOD COMPRISING CONTACTING THE PEPTIDE DEFORMYLASE WITH ONE OR MORE COMPOUNDS OF THE INVENTION VERSICOR, INC. 2002-09-10 US disclosed
US-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. 2001-12-20 US disclosed
US-6281245-B1 ADMINISTERING DEFORMYLASE INHIBITOR VERSICOR, INC. 2001-08-28 US disclosed
WO-1999057097-A2 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1999-11-11 WO 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 (6 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-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF TST, TPST2, SRMS ALDH1A1 3058/4885NPY1R 2848/4885NPY5R 3356/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG ALDH1A1 1050/4885NPY1R 495/4885NPY5R 567/4885
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof TST, TPST2, SRMS ALDH1A1 3058/4885NPY1R 2848/4885NPY5R 3356/4885
US-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF HNMT, HAAO, HPSE ALDH1A1 1020/4885NPY1R 4175/4885NPY5R 4074/4885
US-20180181000-A1 RADIATION SENSITIVE COMPOSITION RER1, RAD1, RAD51 ALDH1A1 1670/4885NPY1R 1936/4885NPY5R 3536/4885
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION XRCC6, RAD50, XRCC5 ALDH1A1 1388/4885NPY1R 2609/4885NPY5R 2007/4885

“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.