SCHEMBL984688

SCHEMBL984688

CCOC(=CC(=O)C(=O)O)CC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
GLO1 Q04760 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL3555076 0.82 HCAR2 (0.46) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL31278364 0.82 HCAR2 (0.35) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL13296298 0.77 NPSR1 (0.56) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL19438257 0.77 NPSR1 (0.56) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL17221431 0.76 ALDH1A1 (0.44) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL17221432 0.76 ALDH1A1 (0.44) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL17221429 0.76 ALDH1A1 (0.44) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL19436648 0.74 NPSR1 (0.42) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL19436649 0.74 NPSR1 (0.42) SOAT1HCAR2ALDH1A1NPSR1LMNA
SCHEMBL7664534 0.68 NPSR1 (0.37) SOAT1HCAR2ALDH1A1NPSR1LMNA

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-20210101885-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-10787437-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2020-09-29 US disclosed
US-20190023691-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2019-01-24 US disclosed
US-10059691-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2018-08-28 US disclosed
US-20170137408-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9556149-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-20150045372-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2015-02-12 US disclosed
US-20110021538-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
WO-2009123714-A2 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2009-10-08 WO 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 (7 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-10787437-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor HTR5A, HTR2A, HTR3A SOAT1 3364/4885HCAR2 138/4885ALDH1A1 1106/4885
US-20150045372-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A SOAT1 3364/4885HCAR2 138/4885ALDH1A1 1106/4885
US-20170137408-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A SOAT1 3364/4885HCAR2 138/4885ALDH1A1 1106/4885
US-20210101885-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A SOAT1 3364/4885HCAR2 138/4885ALDH1A1 1106/4885
US-20190023691-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A SOAT1 3364/4885HCAR2 138/4885ALDH1A1 1106/4885
US-20110021538-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A SOAT1 3364/4885HCAR2 138/4885ALDH1A1 1106/4885
US-10059691-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor HTR5A, HTR2A, HTR3A SOAT1 3364/4885HCAR2 138/4885ALDH1A1 1106/4885

“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.