SCHEMBL21486491

SCHEMBL21486491

CSC(C)N1C(=O)C(C)Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL7349339 0.84 PDE3B (0.49) TSHRALDH1A1L3MBTL1HTTMEN1
SCHEMBL3401752 0.72 TSHR (0.51) TSHRALDH1A1L3MBTL1HTTMEN1
SCHEMBL29354025 0.72 TSHR (0.51) TSHRALDH1A1L3MBTL1HTTMEN1
SCHEMBL21483641 0.71 TSHR (0.62) TSHRALDH1A1L3MBTL1HTTMEN1
SCHEMBL18128200 0.70 TSHR (0.54) TSHRALDH1A1L3MBTL1HTTMEN1
2-Methyl-D-Diboa SCHEMBL13135829 0.70 ALDH1A1 (0.54) TSHRALDH1A1L3MBTL1HTTMEN1
SCHEMBL13091065 0.67 TSHR (0.54) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL9787326 0.67 TSHR (0.60) TSHRALDH1A1L3MBTL1HTTMEN1
SCHEMBL30806327 0.66 ALDH1A1 (0.42) TSHRALDH1A1L3MBTL1HTTMEN1
SCHEMBL30806501 0.66 ALDH1A1 (0.42) TSHRALDH1A1L3MBTL1HTTMEN1

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-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 TSHR 1185/4885ALDH1A1 1361/4885L3MBTL1 899/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 TSHR 1169/4885ALDH1A1 1396/4885L3MBTL1 681/4885

“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.