SCHEMBL22276932

SCHEMBL22276932

NC(=O)Cn1cc(-c2ccc(C(F)(F)F)cc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.53
▸ EPHB4 P54760 2/20 0.50
▸ P2RY14 Q15391 6/20 0.49
▸ TSPO P30536 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ TEK Q02763 2/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ SRC P12931 2/20 0.49
▸ S1PR1 P21453 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46

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
SCHEMBL22276927 0.84 PTGS2 (0.53) PTGS2NR1H4SRCS1PR1
SCHEMBL22276934 0.83 PTGS2 (0.50) PTGS2EPHB4P2RY14TEKNR1H4
SCHEMBL22276803 0.82 SRC (0.54) NR1H4SRC
SCHEMBL22276762 0.81 SRC (0.72) PTGS2EPHB4TEKNR1H4SRC
SCHEMBL30556704 0.81 SRC (0.58) PTGS2SRC
SCHEMBL29050563 0.81 SRC (0.63) PTGS2EPHB4P2RY14TEKSRC
SCHEMBL22276761 0.80 SRC (0.58) NR1H4SRC
SCHEMBL22276931 0.79 MEN1 (0.56) PTGS2SRCHSP90AA1HSP90AB1
SCHEMBL30531809 0.78 SRC (0.63) PTGS2EPHB4TEKSRCKDR
SCHEMBL22276773 0.78 HDAC8 (0.57) NR1H4SRC

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-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-10-03 — — US disclosed
US-20230266321-A1 LIVE CELL ENGAGEMENT ASSAY ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-08-24 — — US disclosed
US-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2020-07-30 — — 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-20230266321-A1 LIVE CELL ENGAGEMENT ASSAY KSR1, KSR2, ARAF PTGS2 4673/4885EPHB4 913/4885P2RY14 3017/4885
US-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE NEU1, NEU3, NEU2 PTGS2 2779/4885EPHB4 1725/4885P2RY14 3119/4885
US-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase NEU1, NEU3, NEU2 PTGS2 2779/4885EPHB4 1725/4885P2RY14 3119/4885

“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.

Send feedback