SCHEMBL3723359

SCHEMBL3723359

COC(=O)c1cc(OC)c(SC)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
KDM4E B2RXH2 7/20 0.47
POLB P06746 3/20 0.44
HSD17B10 Q99714 6/20 0.41
USP2 O75604 1/20 0.41
STING1 Q86WV6 1/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
APAF1 O14727 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
SCHEMBL23094618 0.95 LCK (0.50) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL29945757 0.86 LCK (0.69) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL12497066 0.86 LCK (0.69) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL10959195 0.78 LCK (0.53) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL24379203 0.78 LCK (0.53) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL15813877 0.77 GAA (0.53) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL31460110 0.77 LCK (0.51) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL19682919 0.77 GAA (0.57) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL4727289 0.77 LCK (0.51) LCKFYNKDM4EPOLBHSD17B10
SCHEMBL197110 0.76 SOS1 (0.50) LCKFYNKDM4EPOLBHSD17B10

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 5 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
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 LCK 430/4885FYN 706/4885KDM4E 718/4885

“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.