SCHEMBL4139850

SCHEMBL4139850

CC(=O)OCc1ccc(CN(C)C(=O)OC(C)(C)C)o1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTR2C P28335 6/20 0.35
SLC6A4 P31645 6/20 0.35
TSHR P16473 2/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
HTR2A P28223 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
RIPK1 Q13546 1/20 0.32
ACHE P22303 1/20 0.32
ELANE P08246 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4162677 0.82 CACNA1G (0.38) ALDH1A1HTR2CSLC6A4TSHRCACNA1G
SCHEMBL13574555 0.78 TDP1 (0.46) HTR2CSLC6A4TSHRNPC1RAB9A
SCHEMBL2541634 0.77 ALDH1A1 (0.60) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL4137495 0.74 ALDH1A1 (0.41) ALDH1A1MAPTHPGD
SCHEMBL4139849 0.72 ALDH1A1 (0.39) ALDH1A1TSHRNPC1RAB9AHPGD
SCHEMBL24391228 0.71 RIPK1 (0.61) ALDH1A1MAPTHPGDRIPK1
SCHEMBL27604915 0.71 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AHPGDELANE
SCHEMBL257112 0.71 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL5856909 0.71 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL10261585 0.71 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9AHPGD

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 6 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 ALDH1A1 2731/4885HTR2C 1331/4885SLC6A4 3362/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ALDH1A1 2713/4885HTR2C 1816/4885SLC6A4 3889/4885

“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.