SCHEMBL2219306

SCHEMBL2219306

NC(Cc1ccc2c(c1)Cc1ccccc1-2)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.60
SLC1A2 P43004 2/20 0.60
SLC1A1 P43005 2/20 0.60
SLC7A5 Q01650 4/20 0.54
PTGS1 P23219 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
XIAP P98170 1/20 0.54
HTR2A P28223 2/20 0.51
SRD5A2 P31213 1/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS2 P35354 1/20 0.51
RECQL P46063 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL2219303 1.00 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
SCHEMBL1712557 1.00 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
SCHEMBL7972265 0.83 GABRP (0.47) SLC1A3SLC1A2SLC1A1HTR2ASRD5A2
Hydrochloric Acid SCHEMBL7972261 0.82 GABRP (0.46) SLC1A3SLC1A2SLC1A1HTR2ASRD5A2
SCHEMBL14669359 0.80 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL5200313 0.80 SLC7A5 (0.79) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
Phenylalanine SCHEMBL7741736 0.80 SLC7A5 (0.79) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
Dl-Phenylalanine SCHEMBL7321619 0.79 SLC7A5 (0.76) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
SCHEMBL7199568 0.78 NPC1 (0.46) SLC1A3SLC1A2SLC1A1HTR2ASRD5A2
SCHEMBL7199571 0.78 NPC1 (0.46) SLC1A3SLC1A2SLC1A1HTR2ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-9382306-B2 Octapeptide compounds derived from somatostatin and the therapeutic use thereof IPSEN PHARMA S.A.S. (FR) 2016-07-05 US disclosed
CN-102171246-A Novel octapeptide compounds derived from somatostatin and therapeutic uses thereof IPSEN PHARMA SAS 2011-08-31 CN disclosed
US-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2011-07-21 US disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 US disclosed
US-6846806-B2 Peptide inhibitors of Hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-25 US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed
EP-0049628-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH ANTAGONISTS, METHODS OF MAKING THEM, AND THEIR PHARMACEUTICAL USES SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 EP disclosed
US-4419347-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4341767-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX INC. (US) 1982-07-27 US disclosed
EP-0049628-A2 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists, methods of making them, and their pharmaceutical uses SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 EP disclosed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 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-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF SSTR5, SSTR1, SSTR3 SLC1A3 140/4885SLC1A2 166/4885SLC1A1 157/4885

“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.