SCHEMBL3754466

SCHEMBL3754466

COc1ccc(Br)c(CCN(C(=O)O)C(C)(C)C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ERN1 O75460 1/20 0.32
LPAR1 Q92633 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 2/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
ACHE P22303 1/20 0.31
ABL1 P00519 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
SCHEMBL1026318 0.74 AOC3 (0.53) ALDH1A1CYP1A2MEN1KMT2ACYP2D6
SCHEMBL3661611 0.74 MTNR1A (0.44) SMN1; SMN2POLBKMT2A
SCHEMBL2290451 0.73 CYP3A4 (0.56) L3MBTL1SMN1; SMN2ALDH1A1CYP1A2MEN1
SCHEMBL12312065 0.71 DRD2 (0.43)
SCHEMBL17253669 0.71 ALDH1A1 (0.37) L3MBTL1SMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3661730 0.70 TAAR1 (0.46) LMNACYP1A2MEN1KMT2A
SCHEMBL3662751 0.69 LMNA (0.38) L3MBTL1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL17221218 0.69 ERN1 (0.40) L3MBTL1LMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1025521 0.68 ALOX5 (0.52) SMN1; SMN2HTTALDH1A1LPAR1ACHE
SCHEMBL6825647 0.68 CA12 (0.50) L3MBTL1LMNASMN1; SMN2HTTALDH1A1

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-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 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-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 L3MBTL1 4811/4885LMNA 2289/4885SMN1; SMN2 433/4885

“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.