SCHEMBL3722730

SCHEMBL3722730

CCc1cc(S(C)(=O)=O)c(OC)cc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
FRK P42685 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HMGCR P04035 1/20 0.37
KMT2A Q03164 1/20 0.37
VCAM1 P19320 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8838478 0.94 KDM4E (0.41) KDM4EPOLBSMN1; SMN2FRKMAPK8
SCHEMBL3716264 0.86 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL8578814 0.83 KDM4E (0.40) KDM4ESMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL8838371 0.82 TDP1 (0.44) SMN1; SMN2FRKMAPK8MAPK9MAPK10
SCHEMBL13469255 0.82 KDM4E (0.59) KDM4EPOLBSMN1; SMN2HSD17B10USP2
SCHEMBL8581653 0.82 HTT (0.45) KDM4EPOLBSMN1; SMN2HSD17B10GAA
SCHEMBL8838315 0.81 ALDH1A1 (0.36) KDM4ESMN1; SMN2HSD17B10FRKMAPK8
SCHEMBL8838427 0.81 MAPK1 (0.38) KDM4ESMN1; SMN2HSD17B10MAPK8MAPK9
SCHEMBL8838341 0.80 PTPN1 (0.42) KDM4ESMN1; SMN2HSD17B10GAAALDH1A1
SCHEMBL8580028 0.80 PDGFRB (0.39) KDM4ESMN1; SMN2HSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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 (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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR KDM4E 718/4885POLB 3160/4885SMN1; SMN2 3454/4885

“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.