SCHEMBL537779

SCHEMBL537779

COC(=O)CCN(Cc1ccccc1)c1nc(SC)nc(Cl)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.44
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13131434 0.89 PPARG (0.43) PPARGTDP1SMN1; SMN2NPSR1NPC1
SCHEMBL537640 0.83 PPARG (0.42) PPARGTDP1SMN1; SMN2LMNANPSR1
SCHEMBL13145998 0.82 PPARG (0.45) PPARGTDP1SMN1; SMN2LMNANPSR1
SCHEMBL537780 0.79 TDP1 (0.39) TDP1SMN1; SMN2LMNAMEN1NPC1
SCHEMBL537832 0.78 MAPT (0.40) PPARGSMN1; SMN2LMNANPSR1MEN1
SCHEMBL538215 0.74 PPARG (0.41) PPARGSMN1; SMN2LMNANPSR1RAB9A
SCHEMBL13146339 0.72 MAPT (0.37) PPARGSMN1; SMN2LMNANPSR1MEN1
SCHEMBL13168893 0.68 RAB9A (0.49) PPARGSMN1; SMN2LMNANPSR1MEN1
SCHEMBL3532279 0.68 ALDH1A1 (0.56) TDP1SMN1; SMN2LMNANPSR1MEN1
SCHEMBL19893050 0.68 AGTR1 (0.43) TDP1LMNANPSR1MEN1NPC1

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 — — EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 — — WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 PPARG 206/4885TDP1 293/4885SMN1; SMN2 2524/4885

“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.

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