SCHEMBL30437751

SCHEMBL30437751

NC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.56
TACR1 P25103 2/20 0.56
CTRB1 P17538 2/20 0.55
CTSS P25774 2/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
IDO1 P14902 1/20 0.54
CASP1 P29466 3/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
KYNU Q16719 1/20 0.52

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
SCHEMBL29017554 1.00 CTSK (0.56) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL29521405 1.00 CTSK (0.56) CTSKTACR1CTRB1CTSSCTSL
Hydrochloric Acid SCHEMBL6933213 0.98 CTSK (0.54) CTSKTACR1CTRB1CTSSCTSL
Hydrochloric Acid SCHEMBL28683702 0.98 CTSK (0.54) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL8354112 0.91 CTSK (0.54) CTSKTACR1CTSSCTSLCTSB
SCHEMBL2959219 0.91 CTSK (0.54) CTSKTACR1CTSSCTSLCTSB
SCHEMBL2959221 0.91 CTSK (0.54) CTSKTACR1CTSSCTSLCTSB
SCHEMBL4346138 0.91 KYNU (0.63) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL2115471 0.91 KYNU (0.63) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL3258258 0.91 KYNU (0.63) CTSKTACR1CTRB1CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 US disclosed
US-20230271917-A1 AMINO ACIDS PARABILIS MEDICINES, INC. 2023-08-31 US disclosed
EP-4185284-A1 AMINO ACIDS Fog Pharmaceuticals, Inc. (US) 2023-05-31 EP disclosed
CN-116113621-A Amino acids 弗格制药有限公司 2023-05-12 CN 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 (2 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 CTSK 2053/4885TACR1 3784/4885CTRB1 2805/4885
US-20230271917-A1 AMINO ACIDS NPPA, QPCTL, PTMS CTSK 1914/4885TACR1 1215/4885CTRB1 4185/4885

“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.