SCHEMBL22016791

SCHEMBL22016791

CCN[C@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KCNN4 O15554 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 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
SCHEMBL6703486 1.00 CTSL (0.41) CTSLCTSSCTSKSIGMAR1MTOR
SCHEMBL16099126 0.81 CTSK (0.43) CTSLCTSSCTSKLMNACYP3A4
SCHEMBL22035457 0.81 PRCP (0.43) LMNATSHRGABRB1GABRB2KCNH2
SCHEMBL26113884 0.81 CTSK (0.43) CTSLCTSSCTSKLMNACYP3A4
SCHEMBL24312115 0.81 PRCP (0.43) LMNATSHRGABRB1GABRB2KCNH2
SCHEMBL24312242 0.81 PDE2A (0.42) SIGMAR1LMNACYP3A4SLC6A4ADRA1A
SCHEMBL22031965 0.81 PDE2A (0.42) SIGMAR1LMNACYP3A4SLC6A4ADRA1A
SCHEMBL24437180 0.81 PRCP (0.43) LMNATSHRGABRB1GABRB2KCNH2
SCHEMBL12993664 0.81 CTSL (0.46) CTSLCTSSCTSKLMNACYP3A4
SCHEMBL15723870 0.80 MAPT (0.41) CTSLCTSSCTSKSIGMAR1LMNA

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 CTSL 2027/4885CTSS 2859/4885CTSK 2184/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 CTSL 2027/4885CTSS 2859/4885CTSK 2184/4885

“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.