SCHEMBL7119787

SCHEMBL7119787

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.56
IL1RN P18510 1/20 0.54
ERAP2 Q6P179 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
S1PR4 O95977 2/20 0.51
S1PR1 P21453 1/20 0.51
MAPT P10636 1/20 0.49

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
Hydrochloric Acid SCHEMBL7119784 0.99 CTSK (0.55) CTSKIL1RNERAP2ERAP1CTSS
Hydrochloric Acid SCHEMBL7581883 0.95 CTSK (0.52) CTSKIL1RNERAP2ERAP1CTSS
SCHEMBL27824395 0.92 CTSK (0.58) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL11209394 0.92 CTSK (0.58) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL11680813 0.90 LTA4H (0.57) CTSKCTSB
SCHEMBL22475577 0.90 LTA4H (0.57) CTSKCTSB
SCHEMBL11682299 0.90 LTA4H (0.57) CTSKCTSB
SCHEMBL20881521 0.90 LTA4H (0.57) CTSKCTSB
SCHEMBL11683261 0.90 LTA4H (0.57) CTSKCTSB
Hydrochloric Acid SCHEMBL11681832 0.89 LTA4H (0.56) CTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262169-B1 Process for preparing peptide intermediates MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20030133927-A1 Conjugates useful in the treatment of prostate cancer DEFEO-JONES DEBORAH (US) 2003-07-17 US disclosed
US-6552166-B1 Oligopeptide is mixed with a salt of the anthracycline antibiotic in the presence of a carboxyl activating agent and a base MERCK & CO., INC. 2003-04-22 US disclosed
EP-1228089-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER Merck & Co., Inc. (US) 2002-08-07 EP disclosed
EP-1225918-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER Merck & Co., Inc. (US) 2002-07-31 EP disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 US disclosed
US-6355611-B1 SODIUM SALT OF PROSTATE SPECIFIC ANTIGEN CONJUGATE COMPOUND; USEFUL IN TREATMENT OF PROSTATE CANCER AND BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-12 US disclosed
WO-2001030804-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-05-03 WO disclosed
WO-2001028593-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-04-26 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 (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-20030133927-A1 Conjugates useful in the treatment of prostate cancer BCL2, BCL2L10, BCL2L13 CTSK 753/4885IL1RN 2449/4885ERAP2 308/4885
US-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 CTSK 624/4885IL1RN 2151/4885ERAP2 337/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 CTSK 276/4885IL1RN 2919/4885ERAP2 594/4885

“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.