SCHEMBL4588941

SCHEMBL4588941

Cc1ccccc1S(=O)(=O)N[C@@H](C(=O)O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.74
SLC1A2 P43004 1/20 0.74
SLC1A1 P43005 1/20 0.74
MMP9 P14780 9/20 0.60
MMP2 P08253 8/20 0.60
MMP3 P08254 7/20 0.60
MMP13 P45452 7/20 0.60
MMP1 P03956 6/20 0.60
MMP7 P09237 6/20 0.60
ADAMTS4 O75173 4/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ITGAV P06756 1/20 0.54
MMP14 P50281 1/20 0.50

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
SCHEMBL3964633 1.00 SLC1A3 (0.74) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL6626993 0.87 KDM4E (0.57) SLC1A3SLC1A2SLC1A1MMP9MMP2
Phenanthroline SCHEMBL27895995 0.85 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL8171825 0.84 MMP2 (0.60) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL14798294 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL27895996 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL10765699 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL14398393 0.81 MMP2 (0.56) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL7293770 0.81 ALDH1A1 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL3973093 0.80 MMP2 (0.82) SLC1A3SLC1A2SLC1A1MMP9MMP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989331-B Synthesis method of 2- [ (2S) -1-azabicyclo [2.2.2] oct-2-yl ] -6- (3-methyl-1H-pyrazol-4-yl) thieno [3,2-d ] pyrimidine-4 (3H) -ketone 武田药品工业株式会社 2024-04-12 CN disclosed
US-20080161580-A1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE WESTERMANN JURGEN 2008-07-03 US disclosed
US-7368568-B2 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use BAYER SCHERING PHARMA AG (DE) 2008-05-06 US disclosed
US-20050272731-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-6933385-B2 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use SCHERING AG (DE) 2005-08-23 US disclosed
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 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-20080161580-A1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALEROAMIDES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND PROCESS FOR THE PRODUCTION AND THE USE DHPS, VARS1, CYP51A1 SLC1A3 2676/4885SLC1A2 2367/4885SLC1A1 2641/4885
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use DHPS, VARS1, CYP51A1 SLC1A3 2676/4885SLC1A2 2367/4885SLC1A1 2641/4885
US-20050272731-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for production and the use DHPS, VARS1, HSD17B12 SLC1A3 1743/4885SLC1A2 1501/4885SLC1A1 1568/4885

“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.