SCHEMBL18512288

SCHEMBL18512288

CC(C)(CC(=O)O)c1cc(Br)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.48
▸ CES2 O00748 1/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ ALOX15 P16050 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ RBP4 P02753 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ GSTA1 P08263 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL10575063 0.83 ALDH1A1 (0.55) ALOX15CYP2C19CYP2C9ALDH1A1HIF1A
SCHEMBL13632764 0.80 PTGDR2 (0.55) PTGDR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL6452950 0.79 ALOX15 (0.43) PTGDR2CES2GALR3ALOX15HPGD
SCHEMBL17391120 0.79 PTGDR2 (0.43) PTGDR2CYP2C19RBP4ALDH1A1HIF1A
SCHEMBL6153419 0.77 ALOX15 (0.42) PTGDR2CES2GALR3ALOX15HPGD
SCHEMBL5736125 0.76 ALOX15 (0.41) PTGDR2CES2GALR3ALOX15HPGD
SCHEMBL10573321 0.75 ALOX15 (0.58) ALOX15HPGDCYP2C19CYP2C9CYP1A2
SCHEMBL1114879 0.75 ALDH1A1 (0.52) HPGDCYP2C19CYP2C9RBP4ALDH1A1
SCHEMBL18512287 0.74 CHEK1 (0.37) PTGDR2CYP2C19CYP2C9CYP1A2RBP4
SCHEMBL396749 0.74 ALDH1A1 (0.61) PTGDR2CES2GALR3ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L PTGDR2 1976/4885CES2 4361/4885GALR3 1098/4885

“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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