SCHEMBL5350359

SCHEMBL5350359

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
STS P08842 2/20 0.49
TP53 P04637 3/20 0.48
EPHX2 P34913 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL5349030 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL5353390 0.87 KMT2A (0.56) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL5361599 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AEPHX2
SCHEMBL5755030 0.85 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5350729 0.85 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL5344798 0.85 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL5753566 0.85 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL5756654 0.84 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AEPHX2
Hydrochloric Acid SCHEMBL5353995 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5349928 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ALDH1A1 3065/4885LMNA 2257/4885MEN1 2633/4885

“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.