SCHEMBL730695

SCHEMBL730695

CCC(C)C(N)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.53
ALDH1A1 P00352 3/20 0.51
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
KMT2A Q03164 3/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
DPP4 P27487 1/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL2779058 1.00 SLC15A1 (0.53) SLC15A1ALDH1A1CTSLCTSBCTSS
SCHEMBL353327 1.00 SLC15A1 (0.53) SLC15A1ALDH1A1CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL7331174 0.98 SLC15A1 (0.52) SLC15A1ALDH1A1CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL19808961 0.98 SLC15A1 (0.52) SLC15A1ALDH1A1CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL7331177 0.98 SLC15A1 (0.52) SLC15A1ALDH1A1CTSLCTSBCTSS
Alcohol SCHEMBL28299003 0.95 SLC15A1 (0.50) SLC15A1ALDH1A1CTSLCTSBCTSS
Phenylalanine SCHEMBL10663101 0.89 SLC7A5 (0.56) SLC15A1ALDH1A1CTSLCTSBCTSS
SCHEMBL27552079 0.88 SLC15A1 (0.49) SLC15A1ALDH1A1CTSLCTSBCTSS
SCHEMBL6711118 0.88 SLC15A1 (0.49) SLC15A1ALDH1A1CTSLCTSBCTSS
SCHEMBL31171285 0.87 IARS1 (0.46) SLC15A1KMT2AMEN1SLC6A2

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102250202-B 1-paranitrophenyl-beta-carboline-3-formyl amine acid carbamates and synthesis method and use thereof UNIV CAPITAL MEDICAL SCIENCES 2013-08-28 CN claimed
CN-102241693-B N,N'-di-(1-methyl-beta-carboline-3-formyl)-lysly aminoacid benzyl esters, synthetic method thereof and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-08-28 CN claimed
CN-102241674-B Synthesis method and antitumor activity evaluation of 1,1-dimethyl-beta-carboline-3-formacyl amino acid benzyl ester UNIV CAPITAL MEDICAL 2012-09-12 CN claimed
CN-101906102-B Beta-carboline alkaloid derivative, preparation method and application thereof UNIV CAPITAL MEDICAL 2012-08-29 CN claimed
CN-102250202-A 1-paranitrophenyl-beta-carboline-3-formyl amine acid carbamates and synthesis method and use thereof UNIV CAPITAL MEDICAL 2011-11-23 CN claimed
CN-102241674-A Synthesis method and antitumor activity evaluation of 1,1-dimethyl-beta-carboline-3-formacyl amino acid benzyl ester UNIV CAPITAL MEDICAL 2011-11-16 CN claimed
CN-102241693-A N,N'-di-(1-methyl-beta-carboline-3-formyl)-lysly aminoacid benzyl esters, synthetic method thereof and application thereof UNIV CAPITAL MEDICAL 2011-11-16 CN claimed
CN-101497615-B Substituted purine, preparation and use in medicine ZHEJIANG MED XINCHANG PHARM 2010-12-15 CN claimed
CN-101906102-A Beta-carboline alkaloid derivative, preparation method and application thereof UNIV CAPITAL MEDICAL 2010-12-08 CN claimed
CN-100572382-C The chemical sproof heterogeneous ring compound of reversing tumor cell, its preparation method and application UNIV CAPITAL MEDICAL (CN) 2009-12-23 CN claimed
CN-101597289-A 2-tryptophyl-beta-tetrahydro carboline-3-formyol amino-acid benzyl ester and its production and application UNIV CAPITAL MEDICAL (CN) 2009-12-09 CN claimed
CN-101597290-A β-Ka Lin-3-formyl tryptophyl amino-acid benzyl ester and its production and application UNIV CAPITAL MEDICAL (CN) 2009-12-09 CN claimed
CN-101497615-A Substituted purine, preparation and use in medicine XINCHANG PHARMACEUTICAL FACTORY ZHEJIANG MEDICINE CO LTD (CN) 2009-08-05 CN claimed
CN-101239979-A Heterocyclic compound capable of inversing tumor cell drug tolerance, preparation method and application thereof UNIV CAPITAL MEDICAL SCIENCES (CN) 2008-08-13 CN claimed
US-20240083846-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-03-14 US disclosed
EP-4262763-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF Council of Scientific & Industrial Research (IN) 2023-10-25 EP disclosed
WO-2022130411-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-06-23 WO disclosed
EP-0668856-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-30 EP disclosed
US-5326773-A Prodrug enzyme inhibitors MERCK & CO., INC. (US) 1994-07-05 US disclosed
WO-1994010137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 WO 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-20240083846-A1 SMAC MIMETICS FOR TREATMENT OF CANCER, PROCESS FOR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF BIRC5, BIRC2, BIRC3 SLC15A1 3059/4885ALDH1A1 4373/4885CTSL 3077/4885

“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.