SCHEMBL6850692

SCHEMBL6850692

O=C(N[C@H](C(=O)O)C(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.59
TRPM8 Q7Z2W7 1/20 0.54
TACR1 P25103 2/20 0.53
CTSL P07711 3/20 0.52
CTSS P25774 3/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
ECE1 P42892 3/20 0.51
MME P08473 3/20 0.51
ATM Q13315 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
SCHEMBL7701531 1.00 CTRB1 (0.59) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL11029773 0.90 CTRB1 (0.56) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL29467644 0.88 CTRB1 (0.60) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL7886288 0.88 CTRB1 (0.60) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL20529450 0.88 CTRB1 (0.60) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL7759227 0.87 ECE1 (0.62) CTRB1CTSLCTSSCTSBCTSK
SCHEMBL11785122 0.87 CTSL (0.60) CTRB1TRPM8CTSLCTSSCTSB
SCHEMBL11148538 0.87 MME (0.58) CTRB1TACR1CTSLCTSSCTSB
SCHEMBL7757920 0.86 MME (0.59) CTSLCTSSECE1MME
SCHEMBL8909917 0.86 CTRB1 (0.51) CTRB1TRPM8CTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779296-A2 D-alpha-aminoalkanoyl-(S)-N-alpha-alkylbenzyl amides useful as intermediates for artificial sweeteners THE COCA-COLA COMPANY (US) 1997-06-18 EP claimed
JP-62067098-A None JP disclosed
JP-63039896-A None JP disclosed
JP-4356499-A None JP disclosed
EP-1390358-A4 AMINO ACID DERIVATIVES OF TRIPTOLIDE COMPOUNDS AS IMMUNE MODULATORS AND ANTICANCER AGENT PHARMAGENESIS INC (US) 2004-06-16 EP disclosed
EP-1390358-A1 AMINO ACID DERIVATIVES OF TRIPTOLIDE COMPOUNDS AS IMMUNE MODULATORS AND ANTICANCER AGENT PHARMAGENESIS, INC. (US) 2004-02-25 EP disclosed
US-6569893-B2 Administering to a patient a triptolide or its derivatives, containing an amino acid or oligopeptide moiety for the treatment of cancer and autoimmune deseases, or inhibition of transplant rejection, graft versus host disease PHARMAGENESIS, INC. 2003-05-27 US disclosed
US-20020193419-A1 Amino acid derivatives of triptolide compounds as immune modulators and anticancer agents PHARMAGENESIS, INC. 2002-12-19 US disclosed
WO-2002074759-A1 AMINO ACID DERIVATIVES OF TRIPTOLIDE COMPOUNDS AS IMMUNE MODULATORS AND ANTICANCER AGENT PHARMAGENESIS, INC. (US) 2002-09-26 WO disclosed
US-6342582-B1 PURIFICATION AND/OR BIOSYNTHESIS OF OLIGOPEPTIDES IN PRESENCE OF A PHENOL OR MIXTURE; DEBLOCKING, AMIDATION; VACCINES, DRUGS, FOOD, AGRICULTURE RHODIA CHIMIE (FR) 2002-01-29 US disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 US disclosed
US-4394308-A Method of producing α-L-aspartyl-L-phenylalanine methylesters CHIMICASA GMBH (CH) 1983-07-19 US disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 EP disclosed
EP-0034876-A2 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1981-09-02 EP disclosed
US-4237272-A BACTERICIDES KYOWA HAKKO KOGYO CO., LTD. (JP) 1980-12-02 US disclosed
US-4217280-A Amino-3-cardenolide derivatives, process for their preparation, and pharmaceutical compositions containing same ETABLISSEMENTS NATIVELLE S.A. (FR) 1980-08-12 US disclosed
US-4119493-A IN PRESENCE OF METALLOPROTEINASE ENZYME (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-10-10 US disclosed
US-4116768-A AMIDATION, METALLOPROTEINASE ENZYME (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-09-26 US disclosed
US-4025551-A 3-Amino-N-substituted succinamic acids G. D. SEARLE & CO. (US) 1977-05-24 US disclosed
US-4011260-A 3-AMINO-N-SUBSTITUTED SUCCINAMIC ACIDS AND INTERMEDIATES THERETO G. D. SEARLE & CO. (US) 1977-03-08 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 (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-20020193419-A1 Amino acid derivatives of triptolide compounds as immune modulators and anticancer agents CCRL2, CCR1, XPNPEP1 CTRB1 1072/4885TRPM8 4028/4885TACR1 2932/4885

“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.