SCHEMBL1101396

SCHEMBL1101396

C1CCC(NC2CCCCC2)CC1.CC(=O)S[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CPA1 P15085 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1101398 1.00 EPHX1 (0.39) EPHX1THRBATML3MBTL1ALDH1A1
SCHEMBL27523629 0.86 THRB (0.42) EPHX1THRBATML3MBTL1ALDH1A1
SCHEMBL27335896 0.82 LTA4H (0.36) EPHX1THRBATML3MBTL1ALDH1A1
SCHEMBL27337149 0.82 SMN1; SMN2 (0.46) EPHX1THRBATML3MBTL1ALDH1A1
SCHEMBL489097 0.80 RNPEP (0.43) ALDH1A1CPA1
SCHEMBL489096 0.80 RNPEP (0.43) ALDH1A1CPA1
SCHEMBL1258031 0.80 RNPEP (0.43) ALDH1A1CPA1
SCHEMBL7546509 0.77 EPHX2 (0.46) EPHX1ALDH1A1CPA1SMN1; SMN2RAB9A
Leucine SCHEMBL3724837 0.75 SLC7A5 (0.60) EPHX1THRBATML3MBTL1ALDH1A1
Leucine SCHEMBL3724834 0.75 SLC7A5 (0.60) EPHX1THRBATML3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153675-B2 Crystalline form of an alkoxyimidazol-1-ylmethyl biphenyl carboxylic acid THERAVANCE, INC. (US) 2012-04-10 US disclosed
US-20110224272-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID THERAVANCE, INC. (US) 2011-09-15 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-20110224272-A1 CRYSTALLINE FORM OF AN ALKOXYIMIDAZOL-1-YLMETHYL BIPHENYL CARBOXYLIC ACID FFAR1, FFAR3, FFAR2 EPHX1 2320/4885THRB 3516/4885ATM 4694/4885

“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.