SCHEMBL537640

SCHEMBL537640

CCOC(=O)CCN(Cc1ccccc1)c1nc(SC)nc(Cl)c1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SLC26A6 Q9BXS9 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
SCHEMBL13131434 0.94 PPARG (0.43) PPARGALDH1A1POLBTDP1MAPT
SCHEMBL13145998 0.93 PPARG (0.45) PPARGALDH1A1POLBTDP1MAPT
SCHEMBL537450 0.84 MAPT (0.40) PPARGALDH1A1POLBMAPTHPGD
SCHEMBL538288 0.84 THRB (0.43) PPARGALDH1A1POLBTDP1MAPT
SCHEMBL3532279 0.82 ALDH1A1 (0.56) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL537832 0.79 MAPT (0.40) PPARGALDH1A1MAPTHPGDKMT2A
SCHEMBL14407177 0.76 MAPT (0.35) PPARGALDH1A1TDP1MAPTHPGD
SCHEMBL30926036 0.74 MAPT (0.47) PPARGALDH1A1TDP1MAPTHPGD
SCHEMBL537829 0.73 MAPT (0.48) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL13145803 0.73 MAPT (0.37) ALDH1A1POLBMAPTHPGDKMT2A

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 PPARG 206/4885ALDH1A1 924/4885POLB 345/4885

“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.

Send feedback