SCHEMBL22017359

SCHEMBL22017359

CCC(C)c1c(C(F)(F)F)c2cc(F)ccc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.34
PLK1 P53350 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PGR P06401 2/20 0.33
NR1H3 Q13133 1/20 0.33
THRB P10828 1/20 0.33
HCRTR1 O43613 1/20 0.33
AR P10275 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL22017134 0.87 ATM (0.38) KDM4EALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL21977663 0.76 ATM (0.40) KDM4EALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL22016488 0.72 ATM (0.41) KDM4EALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL26815145 0.71 AR (0.39) KDM4EALDH1A1HPGDSMN1; SMN2PLK1
SCHEMBL22016170 0.69 KIF11 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL18541949 0.68 BRD4 (0.49) KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL26817271 0.68 HRH3 (0.40)
SCHEMBL26817280 0.67 MCHR1 (0.40) ALDH1A1
SCHEMBL21957297 0.66 AR (0.50) ATMPGRAR
SCHEMBL22035261 0.66 ATM (0.41) KDM4EALDH1A1HPGDSMN1; SMN2ATM

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 KDM4E 1442/4885ALDH1A1 823/4885HPGD 3062/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885ALDH1A1 823/4885HPGD 3062/4885

“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.