SCHEMBL25296404

SCHEMBL25296404

NC(=O)c1ccnc(N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CYP2C19 P33261 1/20 0.50
NEK2 P51955 1/20 0.49
PRKD3 O94806 1/20 0.45
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ITGB2 P05107 3/20 0.43
ICAM1 P05362 3/20 0.43
ITGAL P20701 3/20 0.43
PROKR1 Q8TCW9 3/20 0.43
OPRD1 P41143 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE4A P27815 2/20 0.42

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
Trifluoroacetic Acid SCHEMBL30338868 0.93 DPP4 (0.49) PIK3CALMNAHTTKDM4ECYP2C19
SCHEMBL25816553 0.84 KDM4E (0.60) PIK3CALMNAHTTKDM4ETMPRSS15
SCHEMBL30547524 0.84 KDM4E (0.60) PIK3CALMNAHTTKDM4ETMPRSS15
SCHEMBL15101436 0.84 PROKR1 (0.58) PIK3CALMNAHTTKDM4ECYP2C19
SCHEMBL1494841 0.83 PIK3CA (0.62) PIK3CALMNAKDM4ENPSR1ITGB2
Bromide SCHEMBL30338927 0.83 KDM4E (0.58) PIK3CALMNAHTTKDM4ETMPRSS15
SCHEMBL3257027 0.83 OPRD1 (0.59) LMNAHTTKDM4ECYP2C19NEK2
SCHEMBL4309526 0.82 PRKD1 (0.60) PIK3CAPRKD3PRKD1PRKD2PROKR1
SCHEMBL30290310 0.81 PRKD3 (0.62) PIK3CAPRKD3PRKD1PRKD2PROKR1
SCHEMBL15101446 0.81 PIK3CA (0.62) PIK3CALMNAHTTKDM4ECYP2C19

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
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 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 (1 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-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 PIK3CA 1279/4885LMNA 4497/4885HTT 4743/4885

“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.