SCHEMBL22017353

SCHEMBL22017353

CC(C)c1c(C(F)(F)F)c2c(n(C)c1=O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GRIA2 P42262 1/20 0.31

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
SCHEMBL13377320 0.81 RXFP1 (0.36) RXFP1LMNATSHRNPSR1
SCHEMBL21956885 0.78 RXFP1 (0.35) RXFP1LMNATSHRNPSR1
SCHEMBL13377365 0.78 RXFP1 (0.40) RXFP1LMNATSHRNPSR1GRIA2
SCHEMBL22016172 0.76 RXFP1 (0.33) RXFP1LMNATSHRNPSR1
SCHEMBL28591800 0.75 MAPT (0.38) POLBRXFP1LMNATSHRNPSR1
SCHEMBL22899768 0.69 — —
SCHEMBL13377306 0.65 RXFP1 (0.33) RXFP1LMNATSHRNPSR1
SCHEMBL21957120 0.65 AR (0.41) RXFP1
SCHEMBL22016170 0.64 KIF11 (0.42) RXFP1LMNANPSR1
SCHEMBL13377464 0.61 RXFP1 (0.36) RXFP1LMNATSHRNPSR1GRIA2

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 5 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-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 (5 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 POLB 3764/4885RXFP1 2998/4885LMNA 2479/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 POLB 3894/4885RXFP1 3116/4885LMNA 3437/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 POLB 3764/4885RXFP1 2998/4885LMNA 2479/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 POLB 3764/4885RXFP1 2998/4885LMNA 2479/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 POLB 3764/4885RXFP1 2998/4885LMNA 2479/4885

“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.

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