SCHEMBL7561945

SCHEMBL7561945

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 1/20 0.38
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Hydrochloric Acid SCHEMBL28994080 0.84 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22046708 0.84 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17484167 0.84 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27880701 0.81 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5178113 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16058676 0.77 CYP1A2 (0.50) SMN1; SMN2CYP1A2CYP2D6
SCHEMBL8668654 0.76 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30305388 0.75 POLB (0.44) GAAALDH1A1TSHRPOLBHSD17B10
SCHEMBL30305380 0.75 ALDH1A1 (0.45) GAAALDH1A1TSHRTDP1POLB
SCHEMBL1237869 0.75 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 US disclosed
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
EP-4522607-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-kB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2002056681-A2 NOVEL INTERMEDIATES AND PROCESS TO PYRIMIDINEDIONE HERBICIDES FMC CORPORATION (US) 2002-07-25 WO disclosed
US-4927451-A HERBICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-05-22 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-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB GAA 2159/4885MGAM 4206/4885SI 2469/4885
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB GAA 2050/4885MGAM 4319/4885SI 2376/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB GAA 2207/4885MGAM 4329/4885SI 3000/4885

“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.