SCHEMBL21767930

SCHEMBL21767930

CCc1ccc([C@](N)(CC)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP1A2 P05177 2/20 0.69
ALDH1A1 P00352 3/20 0.47
KIF11 P52732 3/20 0.43
PLK1 P53350 1/20 0.43
BLM P54132 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
EGFR P00533 1/20 0.37
FYN P06241 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL21767932 1.00 MEN1 (0.69) MEN1KMT2ACYP1A2ALDH1A1KIF11
SCHEMBL27338628 0.83 MEN1 (0.71) MEN1KMT2ACYP1A2ALDH1A1KIF11
SCHEMBL2089243 0.82 CYP1A2 (0.70) MEN1KMT2ACYP1A2ALDH1A1KIF11
SCHEMBL305912 0.82 CYP1A2 (0.70) MEN1KMT2ACYP1A2ALDH1A1KIF11
SCHEMBL2089245 0.82 CYP1A2 (0.70) MEN1KMT2ACYP1A2ALDH1A1KIF11
SCHEMBL7742622 0.81 MEN1 (0.69) MEN1KMT2ACYP1A2ALDH1A1KIF11
SCHEMBL13073529 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2ALDH1A1TDP1
Water SCHEMBL8329268 0.81 CYP1A2 (0.68) MEN1KMT2ACYP1A2ALDH1A1KIF11
Hydrochloric Acid SCHEMBL1630962 0.81 CYP1A2 (0.68) MEN1KMT2ACYP1A2ALDH1A1KIF11
SCHEMBL27843752 0.81 CYP1A2 (0.68) MEN1KMT2ACYP1A2ALDH1A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115048-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-22 US disclosed
EP-3617208-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-03-04 EP 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-20210115048-A1 HETEROCYCLIC COMPOUND CASR, AGTR2, AGTR1 MEN1 1763/4885KMT2A 2678/4885CYP1A2 3900/4885

“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.