SCHEMBL15729969

SCHEMBL15729969

CC(C)SC1(C(=O)O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
FFAR3 O14843 1/20 0.33
SLC22A12 Q96S37 5/20 0.32

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
SCHEMBL17153412 0.73
SCHEMBL15730059 0.68 FFAR3 (0.33) CYP2C19TSHRNFKB1FFAR3SLC22A12
SCHEMBL18793 0.67 CYP2C19 (0.38) CYP2C19TSHRFFAR3SLC22A12
SCHEMBL6897915 0.65 FFAR3 (0.35) CYP2C19FFAR3SLC22A12
SCHEMBL9756179 0.65 FFAR3 (0.35) CYP2C19TSHRNFKB1FFAR3SLC22A12
SCHEMBL17481679 0.64 FFAR3 (0.33) CYP2C19FFAR3
SCHEMBL4581131 0.64 FFAR3 (0.38) CYP2C19TSHRNFKB1FFAR3
Bicarbonate SCHEMBL3824750 0.63 CA1 (0.36) CYP2C19TSHRNFKB1FFAR3
SCHEMBL17153343 0.62
SCHEMBL8099795 0.62

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-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 US disclosed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 US disclosed
WO-2014077285-A1 PYRIDINE DERIVATIVE 帝人ファーマ株式会社 (JP) 2014-05-22 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 (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-20150284358-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 CYP2C19 2209/4885TSHR 3577/4885NFKB1 3188/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 CYP2C19 2209/4885TSHR 3577/4885NFKB1 3188/4885

“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.