SCHEMBL26896552

SCHEMBL26896552

C[C@@H](CCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DPP4 P27487 1/20 0.47
MMP3 P08254 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.45
FFAR1 O14842 1/20 0.45
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.42
KCNH2 Q12809 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL24440170 1.00 TSHR (0.49) TSHRMEN1KMT2ADPP4MMP3
SCHEMBL27507832 0.91 MEN1 (0.45) TSHRMEN1KMT2ADPP4MMP3
SCHEMBL17590311 0.83 TSHR (0.50) TSHRDPP4ALDH1A1SMN1; SMN2POLB
SCHEMBL27500484 0.83 OPRK1 (0.50) TSHRMEN1KMT2ADPP4MAPK1
SCHEMBL25181550 0.83 TSHR (0.50) TSHRDPP4ALDH1A1SMN1; SMN2POLB
SCHEMBL16080190 0.83 OPRK1 (0.50) TSHRMEN1KMT2ADPP4MAPK1
SCHEMBL12670558 0.82 TSHR (0.68) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL264775 0.82 TSHR (0.68) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5871596 0.82 FFAR1 (0.49) MEN1KMT2ADPP4ALDH1A1FFAR1
SCHEMBL473576 0.82 TSHR (0.68) TSHRMEN1KMT2AALDH1A1SMN1; SMN2

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-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 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-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 TSHR 1564/4885MEN1 1227/4885KMT2A 1548/4885

“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.