SCHEMBL20043327

SCHEMBL20043327

CC(C)[C@H](O)C1(C)CC2CCCC(C2)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
SLC22A2 O15244 1/20 0.30
SLC47A1 Q96FL8 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
SCHEMBL20746681 0.78
SCHEMBL16559617 0.76
SCHEMBL19696242 0.75 SLC22A2 (0.46) SMN1; SMN2SLC22A2SLC47A1
SCHEMBL19102477 0.74 SLC22A2 (0.33) SLC22A2SLC47A1
SCHEMBL24311330 0.72 GRIN2D (0.32) SLC22A2SLC47A1
SCHEMBL18545730 0.72 SLC22A2 (0.30) SLC22A2SLC47A1
SCHEMBL18898056 0.72 SLC22A2 (0.30) SLC22A2SLC47A1
SCHEMBL18545732 0.71
SCHEMBL18826707 0.69 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL25720236 0.69 TRPA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor PLEXXIKON INC. (US) 2021-10-19 US disclosed
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 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 (3 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-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor IDO1, TDO2, IDO2 SMN1; SMN2 2009/4885SLC22A2 1382/4885SLC47A1 457/4885
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 SMN1; SMN2 2220/4885SLC22A2 1286/4885SLC47A1 331/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 SMN1; SMN2 2009/4885SLC22A2 1382/4885SLC47A1 457/4885

“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.