SCHEMBL24252141

SCHEMBL24252141

C[C@@H]([C@H](Cc1ccccc1)C(=O)O)N(C=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 3/20 0.44
CTSB P07858 4/20 0.40
ACE P12821 1/20 0.40
CYP1A2 P05177 2/20 0.39
MAOB P27338 1/20 0.39
LTA4H P09960 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SRR Q9GZT4 1/20 0.38

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
SCHEMBL7084380 0.88 CTSB (0.40) SLC1A3SLC1A2SLC1A1CTSBACE
SCHEMBL24252159 0.85 SMN1; SMN2 (0.39) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL14282188 0.85 CTSK (0.42) CTSBCYP1A2ALOX5MEN1CYP2C9
SCHEMBL10686536 0.80 CYP1A2 (0.43) SLC1A3SLC1A2SLC1A1CYP1A2MEN1
SCHEMBL24252144 0.79 ADAM17 (0.47)
SCHEMBL27389520 0.79 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CTSBCYP1A2
SCHEMBL10873777 0.78 SLC1A1 (0.45) SLC1A3SLC1A2SLC1A1CYP1A2MEN1
SCHEMBL16898172 0.77 SMN1; SMN2 (0.41) ACECYP1A2MEN1CYP2C9CYP2C19
SCHEMBL5268183 0.77 ALDH1A1 (0.40) SLC1A3SLC1A2SLC1A1CTSBCYP1A2
SCHEMBL27744904 0.77 ALDH1A1 (0.40) SLC1A3SLC1A2SLC1A1CTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364272-A1 THERANOSTIC COMPOUNDS UNIVERSITY OF CAPE TOWN (ZA) 2023-11-16 US disclosed
US-20230364272-A1 THERANOSTIC COMPOUNDS UNIVERSITY OF CAPE TOWN (ZA) 2023-11-16 US disclosed
WO-2022034544-A1 THERANOSTIC COMPOUNDS NRF ITHEMBA LABS (ZA) 2022-02-17 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-20230364272-A1 THERANOSTIC COMPOUNDS MMP12, TIMP3, CTSZ SLC1A3 812/4885SLC1A2 948/4885SLC1A1 622/4885

“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.