SCHEMBL19003829

SCHEMBL19003829

C[C@@]12CCCC1(C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
F10 P00742 2/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 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
SCHEMBL27955484 0.78 FFAR3 (0.42) FFAR3TSHRCYP2C19
SCHEMBL9372565 0.73 CYP2C19 (0.40) FFAR3TSHRNFKB1CYP2C19
SCHEMBL28407071 0.71 CYP2C19 (0.39) FFAR3TSHRCYP2C19
SCHEMBL23245204 0.70 CYP2C19 (0.42) FFAR3TSHRCYP2C19
SCHEMBL11208917 0.70 CYP2C19 (0.42) FFAR3TSHRCYP2C19
SCHEMBL15114681 0.69 FFAR3 (0.48) FFAR3NFKB1CYP2C19
SCHEMBL31394600 0.68 FFAR3 (0.36) FFAR3
SCHEMBL10276856 0.68 CYP2C19 (0.46) FFAR3TSHRCYP2C19
SCHEMBL3831087 0.68 CYP2C19 (0.46) FFAR3TSHRCYP2C19
SCHEMBL358029 0.68 CYP2C19 (0.46) FFAR3TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 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-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 FFAR3 127/4885TSHR 1001/4885NFKB1 2312/4885

“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.