SCHEMBL22035484

SCHEMBL22035484

Cc1c(C(F)(F)F)c2cc(Br)ccc2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
NR1H3 Q13133 1/20 0.37
IDO1 P14902 1/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
GSK3B P49841 3/20 0.36
MAPK8 P45983 1/20 0.36
CYP1A2 P05177 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21979262 0.84 PGR (0.36) PGRNR1H3IDO1EGFRSRC
SCHEMBL2830065 0.78 ALDH1A1 (0.45) PGRNR1H3MEN1HTTKMT2A
SCHEMBL31202730 0.78 ALDH1A1 (0.45) PGRNR1H3MEN1HTTKMT2A
SCHEMBL31223905 0.77 MEN1 (0.43) EGFRSRCGSK3BMAPK8CYP1A2
SCHEMBL22035485 0.76 EGFR (0.40) EGFRSRCGSK3BMAPK8CYP1A2
SCHEMBL21979406 0.74 EGFR (0.39) EGFRSRCGSK3BMAPK8CYP1A2
SCHEMBL21978549 0.74 AR (0.49) PGR
SCHEMBL29976895 0.73 HPGD (0.37) PGRNR1H3IDO1EGFRSRC
SCHEMBL22031980 0.71 PGR (0.49) PGRNR1H3SRCCYP1A2MEN1
SCHEMBL14479468 0.70 MAPK8 (0.48) EGFRSRCGSK3BMAPK8CYP1A2

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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 PGR 3262/4885NR1H3 939/4885IDO1 4608/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 PGR 3228/4885NR1H3 1545/4885IDO1 4707/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PGR 3262/4885NR1H3 939/4885IDO1 4608/4885

“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.