SCHEMBL22016170

SCHEMBL22016170

CC(C)c1c(C(F)(F)F)c2ccccc2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
PGR P06401 2/20 0.41
NR1H3 Q13133 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GPR3 P46089 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38

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 0.81 ATM (0.38) PGRNR1H3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2830065 0.80 ALDH1A1 (0.45) KIF11PGRNR1H3ERCC1FEN1
SCHEMBL31202730 0.80 ALDH1A1 (0.45) KIF11PGRNR1H3ERCC1FEN1
SCHEMBL30901248 0.78 KIF11 (0.44) KIF11PGRNR1H3ERCC1FEN1
SCHEMBL21957400 0.78 KIF11 (0.44) KIF11PGRNR1H3ERCC1FEN1
SCHEMBL26815145 0.78 AR (0.39) PGRNR1H3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26817066 0.78 ALDH1A1 (0.46) KIF11PGRALDH1A1SMN1; SMN2KDM4E
SCHEMBL22017085 0.78 KDM4E (0.46) PGRERCC1FEN1ERCC4ALDH1A1
SCHEMBL20669941 0.74 LMNA (0.46) PGRERCC1FEN1ERCC4ALDH1A1
SCHEMBL22017130 0.74 ALDH1A1 (0.48) ERCC1FEN1ERCC4ALDH1A1KMT2A

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
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 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-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES 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 (6 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 KIF11 3043/4885PGR 3262/4885NR1H3 939/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KIF11 3049/4885PGR 3228/4885NR1H3 1545/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KIF11 1911/4885PGR 3541/4885NR1H3 444/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KIF11 1911/4885PGR 3541/4885NR1H3 444/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KIF11 3043/4885PGR 3262/4885NR1H3 939/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KIF11 1911/4885PGR 3541/4885NR1H3 444/4885

“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.