SCHEMBL13056428

SCHEMBL13056428

Cc1c(Cl)ccc2c1NC(C(=O)O)C1CC=CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 6/20 1.00
▸ PTPN7 P35236 13/20 0.77
▸ HSPA1A P0DMV8 8/20 0.77
▸ HSPA8 P11142 6/20 0.77
▸ TDP1 Q9NUW8 6/20 0.77
▸ GAPDH P04406 6/20 0.77
▸ POLB P06746 6/20 0.77
▸ MEN1 O00255 6/20 0.77
▸ KMT2A Q03164 6/20 0.77
▸ BLM P54132 5/20 0.77
▸ L3MBTL1 Q9Y468 5/20 0.77
▸ KDM4E B2RXH2 4/20 0.77
▸ MAPT P10636 4/20 0.77
▸ RECQL P46063 4/20 0.77
▸ HSD17B10 Q99714 4/20 0.77
▸ ALOX15 P16050 3/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ HPGD P15428 3/20 0.77
▸ ALOX12 P18054 1/20 0.77
▸ DUSP1 P28562 1/20 0.77

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
SCHEMBL2117400 0.87 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL13856742 0.87 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL2116061 0.78 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL14758490 0.77 CDC25B (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL14680373 0.77 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL2804418 0.77 CDC25B (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL13056448 0.77 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL2117317 0.77 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL13726071 0.75 PTPN7 (1.00) NR4A1PTPN7HSPA1AHSPA8TDP1
SCHEMBL13726075 0.75 CDC25B (0.76) NR4A1PTPN7HSPA1AHSPA8TDP1

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-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 — — US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 — — 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 NR4A1 4269/4885PTPN7 3916/4885HSPA1A 4515/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 NR4A1 4269/4885PTPN7 3916/4885HSPA1A 4515/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD NR4A1 4082/4885PTPN7 3199/4885HSPA1A 535/4885

“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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