SCHEMBL538288

SCHEMBL538288

CCOC(=O)CCN(c1ccccc1)c1nc(SC)nc(Cl)c1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PPARG P37231 1/20 0.39
▸ MAPT P10636 7/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL537640 0.84 PPARG (0.42) SMN1; SMN2PPARGMAPTKMT2AALDH1A1
SCHEMBL11020556 0.81 ALDH1A1 (0.55) THRBSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL13131434 0.79 PPARG (0.43) THRBSMN1; SMN2PPARGMAPTKMT2A
SCHEMBL13145998 0.77 PPARG (0.45) SMN1; SMN2PPARGMAPTKMT2AALDH1A1
SCHEMBL14407177 0.77 MAPT (0.35) SMN1; SMN2PPARGMAPTKMT2AALDH1A1
SCHEMBL30926036 0.75 MAPT (0.47) SMN1; SMN2PPARGMAPTKMT2AALDH1A1
SCHEMBL537829 0.75 MAPT (0.48) SMN1; SMN2MAPTKMT2AALDH1A1POLB
SCHEMBL13780323 0.74 ADORA3 (0.57) SMN1; SMN2MAPTALDH1A1TDP1HPGD
SCHEMBL537450 0.73 MAPT (0.40) SMN1; SMN2PPARGMAPTKMT2AALDH1A1
SCHEMBL11015988 0.72 ALDH1A1 (0.47) SMN1; SMN2MAPTKMT2AALDH1A1POLB

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 9 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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 — — US disclosed
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
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 — — US 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 THRB 3640/4885SMN1; SMN2 2524/4885PPARG 206/4885

“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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