SCHEMBL3712445

SCHEMBL3712445

CCc1cc(-c2nccs2)ccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
ADRB2 P07550 1/20 0.43
SMPD3 Q9NY59 1/20 0.43
KCNB1 Q14721 5/20 0.41
KCNA5 P22460 1/20 0.41
HDAC2 Q92769 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
LTA4H P09960 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39
LRRK2 Q5S007 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PORCN Q9H237 1/20 0.39

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
SCHEMBL7864005 0.86 ADRB2 (0.43) PTGDR2TRPM4ADRB2SMPD3KCNB1
SCHEMBL3712377 0.85 TRPM4 (0.48) PTGDR2TRPM4ADRB2HDAC2LOXL2
SCHEMBL7907897 0.84 MAPK14 (0.45) PTGDR2TRPM4ADRB2SMPD3KCNB1
SCHEMBL3352615 0.76 KDM4E (0.53) ADRB2SMPD3HDAC2LOXL2ABL1
SCHEMBL2276490 0.75 HDAC2 (0.69) TRPM4HDAC2KMT2AMAPK14SMO
SCHEMBL1307119 0.74 TUBB4A (0.55) SMPD3KMT2ALMNASMN1; SMN2
SCHEMBL3741524 0.74 KAT6A (0.55) PTGDR2SMPD3HDAC2ABL1BCR
SCHEMBL8213638 0.72 GAA (0.50) SMPD3ABL1LMNASMN1; SMN2
SCHEMBL8240124 0.71 LOXL2 (0.67) ADRB2SMPD3LOXL2ABL1BCR
SCHEMBL408167 0.71 SMPD3 (0.46) ADRB2SMPD3HDAC2ABL1BCR

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 PTGDR2 3851/4885TRPM4 4109/4885ADRB2 4606/4885

“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.