SCHEMBL22017086

SCHEMBL22017086

CCc1ccc2n(c1=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
PDE3B Q13370 8/20 0.36
PDE3A Q14432 8/20 0.36
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
CFTR P13569 1/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
GOPC Q9HD26 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL18152630 0.77 ALDH1A1 (0.38) ALOX5USP2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29200211 0.75 KDM4E (0.35) USP2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL15742528 0.73 ALDH1A1 (0.34) USP2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL18473713 0.73 PDE3B (0.39) PDE3BPDE3AUSP2ALDH1A1HSD17B10
SCHEMBL22016195 0.73 SMN1; SMN2 (0.32) USP2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL22016184 0.73 TLR8 (0.32) USP2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL9665568 0.73 ALDH1A1 (0.35) USP2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL29161593 0.72 ALDH1A1 (0.38) USP2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL29161623 0.70 ALDH1A1 (0.40) USP2ALDH1A1HSD17B10SMN1; SMN2KDM4E
SCHEMBL23888686 0.69 ALDH1A1 (0.38) PDE3BPDE3AUSP2ALDH1A1HSD17B10

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 3 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-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 (3 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 ALOX5 2450/4885PDE3B 335/4885PDE3A 764/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ALOX5 2450/4885PDE3B 335/4885PDE3A 764/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ALOX5 2450/4885PDE3B 335/4885PDE3A 764/4885

“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.