SCHEMBL21979038

SCHEMBL21979038

Cc1c(I)c(=O)n(C)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
NR1H3 Q13133 1/20 0.46
KIF11 P52732 2/20 0.44
CYP2C9 P11712 1/20 0.43
SRC P12931 1/20 0.42
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.36
G6PD P11413 1/20 0.36
TLR9 Q9NR96 1/20 0.36
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 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
SCHEMBL30901347 1.00 PGR (0.46) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL22031980 0.86 PGR (0.49) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL22017354 0.80 PGR (0.44) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL22016169 0.80 CYP2C9 (0.49) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL31223920 0.79 PGR (0.46) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL16729412 0.78 KIF11 (0.51) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL21979406 0.77 EGFR (0.39) SRCMEN1KMT2AMAPTALDH1A1
SCHEMBL27857916 0.76 PGR (0.74) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL13383054 0.75 KIF11 (0.65) PGRNR1H3KIF11CYP2C9SRC
SCHEMBL18415626 0.74 KIF11 (0.47) PGRNR1H3KIF11CYP2C9SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
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-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
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 939/4885KIF11 3043/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 PGR 3228/4885NR1H3 1545/4885KIF11 3049/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PGR 3262/4885NR1H3 939/4885KIF11 3043/4885

“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.