SCHEMBL7520783

SCHEMBL7520783

COc1ccc(-c2nc(-c3ccc(NC(=O)NO)cc3)oc2-c2ccccc2S(N)(=O)=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 1/20 0.45
KIT P10721 1/20 0.45
FGFR1 P11362 1/20 0.45
FER P16591 1/20 0.45
FLT1 P17948 1/20 0.45
RPS6KB1 P23443 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
FRK P42685 1/20 0.45
BLK P51451 1/20 0.45
RPS6KA3 P51812 1/20 0.45
MAP4K2 Q12851 1/20 0.45

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
SCHEMBL7520779 0.86 PTGS2 (0.47) PTGS2PTGS1TP53MAPTTHRB
Methane SCHEMBL6314094 0.83 PTGS2 (0.45) PTGS2PTGS1TP53MAPTPTPN2
SCHEMBL6314746 0.83 PTGS2 (0.43) PTGS2PTGS1F10TP53
SCHEMBL8604402 0.83 PTGS2 (0.43) AURKAROCK2RPS6KA5NTRK1LCK
SCHEMBL6315580 0.81 PTGS2 (0.45) AURKAROCK2RPS6KA5NTRK1LCK
SCHEMBL6308151 0.78 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6309069 0.76 NR4A2 (0.49) PTGS2PTGS1F10
Methane SCHEMBL6315000 0.75 PTGS2 (0.46) PTGS2PTGS1F10F2PRSS1
SCHEMBL6307441 0.75 PTGS2 (0.44) PTGS2PTGS1F10
SCHEMBL8561125 0.75 PTGS2 (0.47) PTGS2PTGS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors TALLEY JOHN J (US) 2002-05-09 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 (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-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 AURKA 4539/4885ROCK2 1075/4885RPS6KA5 1562/4885

“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.