SCHEMBL14926797

SCHEMBL14926797

C[C@@H](NCCC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MME P08473 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MLYCD O95822 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL14926779 1.00 TSHR (0.35) TSHRALDH1A1THRBHSD17B10MME
Hydrochloric Acid SCHEMBL30491104 0.98 TSHR (0.34) TSHRALDH1A1THRBHSD17B10MME
SCHEMBL14037307 0.81 TSHR (0.40) TSHRALDH1A1THRBHSD17B10MME
SCHEMBL20677353 0.81 TSHR (0.40) TSHRALDH1A1THRBHSD17B10MME
SCHEMBL29510018 0.81 TSHR (0.34) TSHRALDH1A1THRBHSD17B10MME
SCHEMBL1629559 0.79 CA14 (0.41) TSHRSIGMAR1MEN1KMT2A
SCHEMBL14930543 0.79 SMN1; SMN2 (0.39) TSHRALDH1A1HSD17B10ARG1ARG2
SCHEMBL7213921 0.79 SMN1; SMN2 (0.32) ALDH1A1ARG1ARG2SIGMAR1GRN
SCHEMBL14926782 0.79 SMN1; SMN2 (0.39) TSHRALDH1A1HSD17B10ARG1ARG2
SCHEMBL23052643 0.77 MME (0.34) TSHRALDH1A1MMEACECPA1

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-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 TSHR 676/4885ALDH1A1 2173/4885THRB 880/4885

“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.