SCHEMBL31689005

SCHEMBL31689005

CC(C(=O)O)c1ccc(-c2cccc(C(N)=O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.65
ADAMTS4 O75173 1/20 0.56
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
DHODH Q02127 2/20 0.50
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 1/20 0.49
DGAT1 O75907 2/20 0.49
SOAT1 P35610 1/20 0.49
MAPT P10636 2/20 0.49
PTGS1 P23219 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL28004326 0.86 RXRA (0.55) ADAMTS4DHODHDPP4DPP8
SCHEMBL11132637 0.82 PTGS1 (0.70) PTGS2AKR1C3AKR1C2MAPTPTGS1
SCHEMBL29941476 0.82 DHODH (0.68) ADAMTS4DHODHMAPTRECQLCYP3A4
SCHEMBL43553 0.80 DHODH (0.70) DHODHMAPTRECQLCYP3A4MAPK1
SCHEMBL7826539 0.80 PTGS2 (1.00) PTGS2AKR1C3AKR1C2MAPTPTGS1
SCHEMBL1211557 0.80 PTGS2 (1.00) PTGS2AKR1C3AKR1C2MAPTPTGS1
SCHEMBL29788172 0.80 DHODH (0.70) DHODHMAPTRECQLCYP3A4MAPK1
SCHEMBL6999225 0.80 DHODH (0.63) DHODHMAPTRECQLCYP3A4PMP22
Hydrochloric Acid SCHEMBL3973404 0.78 DHODH (0.68) DHODHMAPTRECQLCYP3A4MAPK1
Hydrochloric Acid SCHEMBL5753890 0.78 PTGS2 (0.96) PTGS2AKR1C3AKR1C2MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP PTGS2 4529/4885ADAMTS4 3496/4885AKR1C3 4643/4885

“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.