SCHEMBL4149710

SCHEMBL4149710

CC(C)(C)OC(=O)CNCC(=O)NNC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2141676 0.86 ALDH1A1 (0.51) SYKCA1MEN1KMT2ARAB9A
SCHEMBL14535782 0.84 SYK (0.52) SYKCA12CA1CA7CA14
SCHEMBL6016839 0.84 SYK (0.57) SYKSMN1; SMN2ATMALDH1A1LMNA
SCHEMBL421286 0.82 SYK (0.61) SYKCA12CA1CA7CA14
SCHEMBL756175 0.82 SYK (0.56) SYKCA12CA1CA7CA14
SCHEMBL6932926 0.82 ALDH1A1 (0.53) SYKSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL25908037 0.82 ALDH1A1 (0.53) SYKSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL25196389 0.81 SYK (0.45) SYKCA12CA1SMN1; SMN2MEN1
SCHEMBL13613756 0.81 HTT (0.48) SYKSMN1; SMN2ATMALDH1A1LMNA
SCHEMBL4148947 0.81 SMN1; SMN2 (0.49) SYKSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SYK 870/4885CA12 2541/4885CA1 1530/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SYK 855/4885CA12 2296/4885CA1 1157/4885

“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.