SCHEMBL22017363

SCHEMBL22017363

Cc1cc(C(F)(F)F)c(C(C)C)nn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
HSD11B1 P28845 1/20 0.31
TRPA1 O75762 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL15481059 0.74 PSMD14 (0.33) HPGDHSD17B10HSD11B1TRPA1
SCHEMBL24740664 0.74 HPGD (0.38) HPGDHSD17B10AAK1HSD11B1TRPA1
SCHEMBL24740838 0.72 HPGD (0.37) HPGDHSD17B10AAK1HSD11B1TRPA1
SCHEMBL25484400 0.72
SCHEMBL12896009 0.72 MAOB (0.31)
SCHEMBL21978556 0.71 HPGD (0.36) HPGDHSD17B10HSD11B1
SCHEMBL30901342 0.71 HPGD (0.36) HPGDHSD17B10HSD11B1
SCHEMBL21487472 0.71 HPGD (0.36) HPGDHSD17B10HSD11B1TSHRCYP2C19
SCHEMBL12477043 0.71 PIK3CD (0.39) HPGDHSD17B10HSD11B1
SCHEMBL24868587 0.71 RXRA (0.34) HSD11B1TRPA1

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
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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 (7 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 HPGD 3062/4885HSD17B10 3214/4885AAK1 2419/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 HPGD 3082/4885HSD17B10 2691/4885AAK1 2420/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 HPGD 3255/4885HSD17B10 3568/4885AAK1 1567/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 HPGD 3062/4885HSD17B10 3214/4885AAK1 2419/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 HPGD 3062/4885HSD17B10 3214/4885AAK1 2419/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B HPGD 3133/4885HSD17B10 3422/4885AAK1 2947/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 HPGD 3062/4885HSD17B10 3214/4885AAK1 2419/4885

“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.