SCHEMBL22125628

SCHEMBL22125628

CC(C#N)n1ccc(C(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.35
MMEL1 Q495T6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL25457903 0.85 MEN1 (0.36) ALDH1A1KDM4ETSHRGAA
SCHEMBL25564505 0.83 PGR (0.31)
SCHEMBL25660359 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10026473 0.80 MME (0.39) MMEMMEL1SMN1; SMN2ALDH1A1AKR1C3
SCHEMBL22125629 0.79 CYP1A2 (0.43) SMN1; SMN2ALDH1A1KDM4EALOX15TSHR
SCHEMBL18158115 0.77 SMN1; SMN2 (0.39) MMEMMEL1SMN1; SMN2ALDH1A1AKR1C3
SCHEMBL31124058 0.73 CTSL (0.38)
SCHEMBL17853366 0.73 MME (0.43) MMEMMEL1SMN1; SMN2ALDH1A1AKR1C3
SCHEMBL22143657 0.73 LMNA (0.37) SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL298871 0.73 SMN1; SMN2 (0.37) MMEMMEL1SMN1; SMN2AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
EP-3897623-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 Leo Pharma A/S (DK) 2021-10-27 EP disclosed
CN-113164448-A Amino acid anilines as small molecule modulators of IL-17 利奥制药有限公司 2021-07-23 CN disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 WO disclosed
WO-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 WO 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-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 MME 1499/4885MMEL1 4265/4885SMN1; SMN2 4839/4885

“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.