SCHEMBL25554182

SCHEMBL25554182

C[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
KMO O15229 1/20 0.51
UTS2R Q9UKP6 3/20 0.50
ERN1 O75460 1/20 0.50
GRM5 P41594 1/20 0.50
MME P08473 1/20 0.50
MMEL1 Q495T6 1/20 0.50
ALDH1A1 P00352 1/20 0.49
KAT6A Q92794 1/20 0.49

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
SCHEMBL25554375 1.00 HDAC8 (0.60) HDAC8KMOUTS2RERN1GRM5
SCHEMBL31331693 0.87 HDAC8 (0.64) HDAC8KMOERN1GRM5ALDH1A1
SCHEMBL1927786 0.87 HDAC8 (0.64) HDAC8KMOERN1GRM5ALDH1A1
SCHEMBL4652059 0.85 NPC1 (0.62) MMEALDH1A1
SCHEMBL1750579 0.85 NPC1 (0.62) MMEALDH1A1
SCHEMBL6519640 0.85 NPC1 (0.62) MMEALDH1A1
SCHEMBL2796740 0.84 CA1 (0.62) HDAC8ALDH1A1
SCHEMBL698880 0.84 CA1 (0.62) HDAC8ALDH1A1
SCHEMBL698879 0.84 CA1 (0.62) HDAC8ALDH1A1
SCHEMBL31432652 0.81 HDAC8 (0.57) HDAC8UTS2RALDH1A1

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-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER L-Base Co., Ltd. (KR) 2023-05-25 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-20230159587-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER VIP, QPCT, TPT1 HDAC8 1744/4885KMO 2095/4885UTS2R 2125/4885

“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.