SCHEMBL20088239

SCHEMBL20088239

CC(C)NC(C(=O)O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19361691 0.79 TDP1 (0.30) TDP1
SCHEMBL15592774 0.78 CA2 (0.35) TP53TDP1
SCHEMBL14011640 0.78 CA2 (0.35) TP53TDP1
SCHEMBL25453253 0.78 CA2 (0.35) TP53TDP1
SCHEMBL24875187 0.77 MMP1 (0.33)
SCHEMBL23513614 0.76 ALDH1A1 (0.33) TP53TDP1
SCHEMBL12797662 0.75 TP53 (0.30) TP53
SCHEMBL31094181 0.74 ALDH1A1 (0.43) TP53TDP1
SCHEMBL28528975 0.74 ALDH1A1 (0.43) TP53TDP1
Trifluoroacetic Acid SCHEMBL367701 0.72 TDP1 (0.44) TP53TDP1

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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 US disclosed
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-26 US disclosed
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-26 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 TP53 51/4885GRN 2717/4885SORT1 4322/4885
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS ACAT1, ACAT2, FNTB TP53 3934/4885GRN 3949/4885SORT1 4584/4885

“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.