SCHEMBL2712968

SCHEMBL2712968

C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
BTK Q06187 1/20 0.35
GAA P10253 1/20 0.34
EPHX1 P07099 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL9744375 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL4328796 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL647264 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL9744380 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
Hydrochloric Acid SCHEMBL30546580 0.98 TSHR (0.36) TSHRBTKGAAEPHX1CTSS
SCHEMBL5131640 0.98 BTK (0.36) TSHRBTKGAAKMT2A
SCHEMBL4996407 0.98 BTK (0.36) TSHRBTKGAAKMT2A
SCHEMBL3672475 0.97 BTK (0.36) TSHRBTKKMT2A
SCHEMBL2350718 0.92 KMT2A (0.34) BTKGAAKMT2A
SCHEMBL2350728 0.92 KMT2A (0.34) BTKGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863905-A2 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2015-04-29 EP disclosed
WO-2013192046-A2 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-12-27 WO disclosed
EP-2635556-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
WO-2012061418-A2 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
US-7265220-B2 Amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATORIES SERVIER (FR) 2007-09-04 US disclosed
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATOIRES SERVIER (FR) 2005-04-21 US disclosed
EP-1476421-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2004-11-17 EP disclosed
US-6632921-B1 Administering as topical fungicide against Candida G. D SEARLE & CO 2003-10-14 US disclosed
WO-2003070690-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2003-08-28 WO disclosed
EP-1135023-A4 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF LILLY CO ELI (US) 2003-03-05 EP disclosed
EP-1135023-A1 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF ELI LILLY AND COMPANY (US) 2001-09-26 EP disclosed
WO-2000027199-A1 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF ELI LILLY AND COMPANY (US) 2000-05-18 WO disclosed
US-5942600-A COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL G. D. SEARLE & CO. (US) 1999-08-24 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-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative ARGLU1, PNISR, ATIC TSHR 139/4885BTK 1903/4885GAA 3452/4885

“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.