SCHEMBL13545693

SCHEMBL13545693

Cc1cccc(-c2ccc(F)cc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGS1 P23219 1/20 0.40
TSHR P16473 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 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
SCHEMBL10304799 0.84 PDCD1 (0.44) KDM4EALDH1A1TSHRACHENPC1
SCHEMBL10304731 0.83 PTGS2 (0.44) PTGS2KDM4EALDH1A1MGAMGAA
SCHEMBL321448 0.82 PTGS2 (0.52) PTGS2KDM4EALDH1A1SLC6A4SLC6A3
SCHEMBL16934069 0.81 ACHE (0.46) ALDH1A1MGAMGAASIMGAM2
SCHEMBL10304812 0.80 KIF11 (0.45) TNKSTNKS2PARP2TP53RAB9A
Hydrochloric Acid SCHEMBL7991387 0.80 PTGS2 (0.50) PTGS2KDM4EALDH1A1SLC6A4SLC6A3
SCHEMBL23078245 0.79 PTGS2 (0.42) PTGS2KDM4EALDH1A1MGAMGAA
SCHEMBL10304874 0.79 PTGS2 (0.44) PTGS2PTGS1NPC1HTR7
SCHEMBL15620357 0.79 CD44 (0.45) PTGS2KDM4EALDH1A1MGAMGAA
SCHEMBL13368931 0.79 PTGS2 (0.42) PTGS2KDM4EALDH1A1MGAMGAA

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-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2010-01-28 US disclosed
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2010-01-28 US disclosed
US-7582665-B2 Heterocyclic sulfur compounds and/or prodrugs administered for prophylaxis of thrombocytopenia, anemia or blood disorders SHIONOGI & CO., LTD. (JP) 2009-09-01 US disclosed
US-7582665-B2 Heterocyclic sulfur compounds and/or prodrugs administered for prophylaxis of thrombocytopenia, anemia or blood disorders SHIONOGI & CO., LTD. (JP) 2009-09-01 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-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM THPO, MPL, TEK PTGS2 2325/4885KDM4E 4430/4885ALDH1A1 1545/4885

“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.