SCHEMBL1375428

SCHEMBL1375428

CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
LTK P29376 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
FFAR1 O14842 2/20 0.40
HPGD P15428 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CNR1 P21554 1/20 0.39
ABL1 P00519 2/20 0.39

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
SCHEMBL2171026 1.00 ALDH1A1 (0.52) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL21429701 0.91 ALDH1A1 (0.52) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL1375762 0.90 ALDH1A1 (0.42) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL1373775 0.88 ALDH1A1 (0.41) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL2185475 0.87 TSHR (0.43) ALDH1A1MAPTTSHRS1PR1S1PR5
SCHEMBL1372212 0.87 TSHR (0.43) ALDH1A1MAPTTSHRS1PR1S1PR5
SCHEMBL21409110 0.84 P2RX3 (0.43) ALDH1A1MEN1HTTKMT2ANPSR1
SCHEMBL1372354 0.84 P2RX3 (0.43) ALDH1A1MEN1HTTKMT2ANPSR1
SCHEMBL2185184 0.84 P2RX3 (0.43) ALDH1A1MEN1HTTKMT2ANPSR1
SCHEMBL21409205 0.83 NR1H2 (0.43) ALDH1A1LMNAMAPTS1PR1S1PR5

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-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 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 (2 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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 ALDH1A1 2363/4885MEN1 750/4885LMNA 824/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 ALDH1A1 4114/4885MEN1 2389/4885LMNA 3406/4885

“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.