SCHEMBL22016467

SCHEMBL22016467

CCc1nc(CC)c2ccccc2c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
CCNE2 O96020 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
ATM Q13315 2/20 0.34
ALOX15 P16050 1/20 0.34
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
AR P10275 1/20 0.32
GAA P10253 2/20 0.32
BACE1 P56817 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL31039564 0.84 HEXA (0.40) POLBRAD52SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21955287 0.84 HEXA (0.40) POLBRAD52SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21955167 0.84 POLB (0.35) POLBRAD52SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL31039527 0.84 POLB (0.35) POLBRAD52SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22017076 0.77 KDM4E (0.39) POLBRAD52SMN1; SMN2TLR7CCNE2
SCHEMBL21955376 0.72 GBA1 (0.37) POLBALOX15GAAKMT2A
SCHEMBL14115003 0.71 TLR7 (0.57) POLBRAD52SMN1; SMN2L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL28030228 0.71 POLB (0.42) POLBRAD52SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1538491 0.70 ALDH1A1 (0.45) ALDH1A1GAABACE1KMT2AKDM4E
SCHEMBL12533981 0.68 KMT2A (0.64) POLBRAD52SMN1; SMN2L3MBTL1ALDH1A1

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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 POLB 3764/4885RAD52 4867/4885SMN1; SMN2 1977/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 POLB 3764/4885RAD52 4867/4885SMN1; SMN2 1977/4885

“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.