SCHEMBL29379665

SCHEMBL29379665

CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.61
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ACE P12821 2/20 0.56
▸ ERAP2 Q6P179 2/20 0.55
▸ ECE1 P42892 10/20 0.53
▸ MAGI3 Q5TCQ9 1/20 0.52
▸ IL1RN P18510 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51

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
SCHEMBL29379360 0.97 CTSC (0.64) CTSCMEN1KMT2AACEERAP2
SCHEMBL29470182 0.94 ACE (0.57) CTSCMEN1KMT2AACEERAP2
SCHEMBL30052005 0.93 CTSC (0.69) CTSCMEN1KMT2AACEERAP2
SCHEMBL11228707 0.91 CTSC (0.65) CTSCMEN1KMT2AACEERAP2
SCHEMBL11228723 0.91 CTSC (0.65) CTSCMEN1KMT2AACEERAP2
Hydrochloric Acid SCHEMBL11220807 0.91 CTSC (0.64) CTSCMEN1KMT2AACEERAP2
SCHEMBL30051830 0.90 CTSC (0.71) CTSCMEN1KMT2AACEERAP2
SCHEMBL7049417 0.90 CTSC (0.73) CTSCMEN1KMT2AACEECE1
SCHEMBL13154782 0.90 CTSC (0.73) CTSCMEN1KMT2AACEECE1
SCHEMBL7048700 0.90 CTSC (0.73) CTSCMEN1KMT2AACEECE1

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-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 — — US disclosed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN disclosed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP disclosed
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