SCHEMBL18374166

SCHEMBL18374166

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ YAP1 P46937 1/20 0.49
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ FAP Q12884 1/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ CMA1 P23946 2/20 0.43
▸ REN P00797 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL20781286 0.91 KMT2A (0.51) ALDH1A1YAP1KMT2AMEN1NPSR1
SCHEMBL20415563 0.89 CMA1 (0.51) CMA1ACE
SCHEMBL30487497 0.87 CTRB1 (0.54) ALDH1A1YAP1KMT2AMEN1NPSR1
SCHEMBL18374556 0.86 CMA1 (0.44) YAP1FAPCMA1
SCHEMBL18374383 0.85 OPRM1 (0.50) —
SCHEMBL30487494 0.85 CMA1 (0.54) ALDH1A1YAP1KMT2AMEN1SMN1; SMN2
SCHEMBL18609373 0.83 ALDH1A1 (0.55) ALDH1A1YAP1KMT2AMEN1NPSR1
SCHEMBL18577421 0.83 ALDH1A1 (0.55) ALDH1A1YAP1KMT2AMEN1NPSR1
SCHEMBL18577419 0.83 ALDH1A1 (0.55) ALDH1A1YAP1KMT2AMEN1NPSR1
SCHEMBL18577417 0.83 ALDH1A1 (0.55) ALDH1A1YAP1KMT2AMEN1NPSR1

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-11365215-B2 Method for preventing, improving, or treating inflammatory bowel disease KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-06-21 — — US disclosed
US-20180208625-A1 METHOD FOR PREVENTING, IMPROVING, OR TREATING INFLAMMATORY BOWEL DISEASE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-07-26 — — US disclosed
WO-2017008033-A1 PYRROLIDINE CARBOXAMIDO DERIVATIVES AND METHODS FOR PREPARING AND USING THE SAME Reasearch & Business Foundation Sungkyunkwan University (KR) 2017-01-12 — — WO disclosed
US-20170008924-A1 PYRROLIDINE CARBOXAMIDO DERIVATIVES AND METHODS FOR PREPARING AND USING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2017-01-12 — — 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 (3 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-20180208625-A1 METHOD FOR PREVENTING, IMPROVING, OR TREATING INFLAMMATORY BOWEL DISEASE SI, NOD2, TNF ALDH1A1 873/4885YAP1 1249/4885KMT2A 4521/4885
US-20170008924-A1 PYRROLIDINE CARBOXAMIDO DERIVATIVES AND METHODS FOR PREPARING AND USING THE SAME NOD2, SI, APC ALDH1A1 2316/4885YAP1 2657/4885KMT2A 3249/4885
US-11365215-B2 Method for preventing, improving, or treating inflammatory bowel disease SI, NOD2, TNF ALDH1A1 873/4885YAP1 1249/4885KMT2A 4521/4885

“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.

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