SCHEMBL18512286

SCHEMBL18512286

COC(=O)CC(C)(C)c1cc(Br)cc(I)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.35
▸ TPMT P51580 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ VCAM1 P19320 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18512284 0.80 GAA (0.38) HSD17B10KDM4EHPGDALDH1A1KMT2A
SCHEMBL12678876 0.75 PTGS2 (0.40) HSD17B10TPMTHPGDALDH1A1PTGDR2
SCHEMBL20741843 0.74 MTNR1A (0.39) HSD17B10TPMTMTNR1AMTNR1BKDM4E
SCHEMBL18512246 0.71 HPGD (0.40) HSD17B10TPMTKDM4EPKMABCB1
SCHEMBL19607137 0.69 HSD17B10 (0.45) HSD17B10TPMTKDM4EPKMABCB1
SCHEMBL10575239 0.69 ALDH1A1 (0.41) HSD17B10KDM4EHPGDALDH1A1KMT2A
SCHEMBL18512307 0.68 HSD17B10 (0.49) HSD17B10TPMTKDM4EPKMABCB1
SCHEMBL18512287 0.68 CHEK1 (0.37) HSD17B10PTGDR2CYP1A2
SCHEMBL694245 0.66 CYP1A2 (0.36) HSD17B10TPMTCYP1A2
SCHEMBL694843 0.66 TPMT (0.38) TPMTALDH1A1BPTFPOLB

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 HSD17B10 4535/4885TPMT 241/4885MTNR1A 392/4885

“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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