SCHEMBL4949461

SCHEMBL4949461

COC(=O)c1ccc(SC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 2/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX15 P16050 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL6617472 0.85 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL8779819 0.83 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL28229285 0.83 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2590384 0.80 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL944296 0.79 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL6575703 0.79 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL17291031 0.79 KMT2A (0.44) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL4250794 0.79 LOXL2 (0.49) CA1CA2CA12CA7CA9
SCHEMBL23600 0.78 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.78 CA1 (0.80) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 CA1 1987/4885CA2 2179/4885CA12 3951/4885

“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.