SCHEMBL24252163

SCHEMBL24252163

C[C@H](O)[C@@H](CCCc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
METAP2 P50579 3/20 0.44
METAP1 P53582 3/20 0.44
TSHR P16473 1/20 0.43
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
LAP3 P28838 2/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MMP3 P08254 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL16156196 1.00 CYP2D6 (0.46) CYP2D6CYP2C9CYP2C19KMT2ANPC1
SCHEMBL24252140 0.85 NPC1 (0.51) KMT2ANPC1RAB9ALAP3ANPEP
SCHEMBL6190476 0.79 KMT2A (0.48) CYP2D6CYP2C9CYP2C19KMT2ATSHR
SCHEMBL16156176 0.79 KMT2A (0.48) CYP2D6CYP2C9CYP2C19KMT2ATSHR
SCHEMBL16149006 0.79 KMT2A (0.48) CYP2D6CYP2C9CYP2C19KMT2ATSHR
SCHEMBL16898255 0.79 NPC1 (0.46) NPC1RAB9AMETAP2METAP1TSHR
SCHEMBL16450802 0.79 NPC1 (0.54) NPC1RAB9A
SCHEMBL24252168 0.78 GRIK1 (0.50) CYP2D6CYP2C9CYP2C19KMT2ANPC1
SCHEMBL17510916 0.78 GRIK1 (0.50) CYP2D6CYP2C9CYP2C19KMT2ANPC1
SCHEMBL4290341 0.78 GRIK1 (0.50) CYP2D6CYP2C9CYP2C19KMT2ANPC1

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 CYP2D6 2731/4885CYP2C9 2341/4885CYP2C19 2006/4885

“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.