SCHEMBL22017093

SCHEMBL22017093

CC(C)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.45
AKT1 P31749 2/20 0.45
ADRB2 P07550 1/20 0.43
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
FFAR2 O15552 1/20 0.37
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL22016889 1.00 PRCP (0.45) PRCPAKT1ADRB2HPGDTSHR
SCHEMBL22016223 1.00 PRCP (0.45) PRCPAKT1ADRB2HPGDTSHR
SCHEMBL22017080 0.82 PDE2A (0.46)
SCHEMBL22017352 0.82 PDE2A (0.46)
SCHEMBL22016892 0.82 CTSL (0.47)
SCHEMBL22017349 0.82 PDE2A (0.46)
SCHEMBL22016893 0.82 CTSL (0.47)
SCHEMBL16105512 0.82 CTSL (0.47)
SCHEMBL16121135 0.80 CTSL (0.48) HPGDSMN1; SMN2
SCHEMBL22016792 0.79 CTSL (0.47) PRCPTSHRTDP1KCNH2GAA

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 4 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-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-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 (4 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 PRCP 2173/4885AKT1 153/4885ADRB2 289/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 PRCP 2935/4885AKT1 390/4885ADRB2 542/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PRCP 2173/4885AKT1 153/4885ADRB2 289/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 PRCP 2173/4885AKT1 153/4885ADRB2 289/4885

“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.