SCHEMBL7202631

SCHEMBL7202631

O=C(N[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.58
KMT2A Q03164 1/20 0.53
ACE P12821 3/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
HCRTR2 O43614 2/20 0.48
CTSB P07858 1/20 0.47
TACR1 P25103 1/20 0.47
PTPN1 P18031 1/20 0.47
CTRB1 P17538 2/20 0.46

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
SCHEMBL14969565 0.87 TACR1 (0.55) GAAALDH1A1CTSSCTSKTACR1
SCHEMBL16865569 0.85 CTSL (0.41) CTSLKMT2AACEALDH1A1LMNA
SCHEMBL10335429 0.84 CTSL (0.51) CTSLCTSSCTSKCTSB
SCHEMBL5689118 0.84 TACR1 (0.55) CTSLALDH1A1CTSSCTSKCTSB
SCHEMBL14488100 0.84 TACR1 (0.55) CTSLALDH1A1CTSSCTSKCTSB
SCHEMBL17039822 0.84 TACR1 (0.55) CTSLALDH1A1CTSSCTSKCTSB
SCHEMBL31633412 0.84 CTSC (0.46) KMT2AALDH1A1LMNATACR1
SCHEMBL2615853 0.83 TACR1 (0.46) CTSLGAARAB9AALDH1A1LMNA
SCHEMBL30233807 0.83 OPRK1 (0.48) ALDH1A1TACR1
SCHEMBL16167854 0.82 CTSL (0.39) CTSLKMT2AACEALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-10-16 US disclosed
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 US disclosed
US-4707490-A AMINO ACID ESTERS OF THIOPROPANOYL-3,4-DEHYDROPROLINE UNIVERSITY OF MIAMI (US) 1987-11-17 US disclosed
US-4695582-A Inhibitors of angiotensin converting enzyme UNIVERSITY OF MIAMI (US) 1987-09-22 US disclosed
EP-0009898-B1 NOVEL ANTI-HYPERTENSIVE MERCAPTOACYLAMINO ACID DERIVATIVES, THEIR PREPARATION AND USE UNIVERSITY OF MIAMI (US) 1983-05-18 EP 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-20030195159-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 CTSL 58/4885KMT2A 906/4885ACE 24/4885

“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.