SCHEMBL4135872

SCHEMBL4135872

Cc1occc1Sc1sc(CN(C)C(=O)O)cc1-c1cccnc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
TACR1 P25103 1/20 0.30
DHODH Q02127 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL3654603 0.88 CACNA1G (0.33) ICAM1SELETACR1
SCHEMBL4135881 0.84 ICAM1 (0.35) ICAM1SELEL3MBTL1GSK3BDYRK1A
SCHEMBL4131192 0.83 CTSD (0.34) DYRK1A
SCHEMBL3799051 0.82 ALDH1A1 (0.35) ICAM1SELEL3MBTL1DYRK1ATACR1
SCHEMBL4119122 0.82 AR (0.33) L3MBTL1GSK3BDYRK1ATACR1DHODH
SCHEMBL4130796 0.82 MGAM (0.36) L3MBTL1DYRK1ADHODH
SCHEMBL2840116 0.81 CYP2A6 (0.39) ICAM1SELEL3MBTL1GSK3B
SCHEMBL4130271 0.81 GLA (0.34)
SCHEMBL4119012 0.81 LIPG (0.32) L3MBTL1GSK3BDYRK1ADHODHLIPG
Hydrochloric Acid SCHEMBL2834782 0.81 CYP2A6 (0.39) L3MBTL1GSK3B

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 ICAM1 4790/4885SELE 4705/4885L3MBTL1 4714/4885

“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.