SCHEMBL1990107

SCHEMBL1990107

CC[C@@H](OS(=O)(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
STAT3 P40763 1/20 0.42
PPARG P37231 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PPARA Q07869 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3064836 1.00 SMN1; SMN2 (0.43) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL7265141 1.00 SMN1; SMN2 (0.43) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL10572149 0.88 CA12 (0.44) STAT3PPARGGAAALDH1A1SLC1A3
SCHEMBL2325751 0.88 CA12 (0.44) STAT3PPARGGAAALDH1A1SLC1A3
SCHEMBL13433912 0.87 KMT2A (0.40) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL15669212 0.87 PSIP1 (0.42) SMN1; SMN2PPARGALDH1A1PPARA
SCHEMBL2363971 0.86 ALDH1A1 (0.46) SMN1; SMN2STAT3GAAALDH1A1KMT2A
SCHEMBL9306403 0.86 KDM4E (0.44) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL2328955 0.86 KMT2A (0.46) SMN1; SMN2STAT3GAAALDH1A1KMT2A
SCHEMBL2328962 0.85 PPARG (0.42) SMN1; SMN2STAT3PPARGGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409378-A Tricyclic PI3K inhibitor compounds and methods of use thereof 豪夫迈·罗氏有限公司 2021-02-26 CN disclosed
CN-108349996-B Tricyclic PI3K inhibitor compounds and methods of use thereof 豪夫迈·罗氏有限公司 2021-01-08 CN disclosed
US-8338621-B2 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB S.A. (BE) 2012-12-25 US disclosed
US-8008350-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2011-08-30 US disclosed
EP-2360160-A1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-24 EP disclosed
EP-1806339-B1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB PHARMA SA (BE) 2011-08-17 EP disclosed
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES UCB S.A. (BE) 2008-01-10 US disclosed
EP-1806339-A1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB, S.A. (BE) 2007-07-11 EP 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-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES CYP2F1, CYP3A5, SULT1E1 SMN1; SMN2 1757/4885STAT3 4539/4885PPARG 1888/4885
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD SMN1; SMN2 3079/4885STAT3 3574/4885PPARG 5/4885

“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.