SCHEMBL2236916

SCHEMBL2236916

N[C@@H](CCC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
FKBP1A P62942 1/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GSR P00390 1/20 0.47
CYP1A2 P05177 1/20 0.47
GRIK1 P39086 1/20 0.47
GRM5 P41594 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47

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
SCHEMBL2236922 1.00 ALOX15 (0.50) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL1769633 0.95 DPP4 (0.49) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL1769630 0.95 DPP4 (0.49) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL21689946 0.90 GLA (0.50) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL13687942 0.86 DPP4 (0.46) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL4145023 0.86 DPP4 (0.52) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL27734662 0.86 DPP4 (0.52) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL4156032 0.86 DPP4 (0.52) ALOX15TSHRHSD17B10DPP4DPP8
SCHEMBL14254554 0.86 DPP4 (0.46) ALOX15TSHRHSD17B10DPP4DPP8
Hydrochloric Acid SCHEMBL4017917 0.85 DPP4 (0.46) ALOX15TSHRHSD17B10DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528808-B2 Therapy for erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP) UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-01-20 US disclosed
CN-114096250-B Therapies for erythropoiesis protoporphyria (EPP) and X-linked protoporphyria (XLP) 匹兹堡大学 联邦高等教育系统 2025-01-14 CN disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-20220249473-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-08-11 US disclosed
EP-3972605-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2022-03-30 EP disclosed
CN-114096250-A Novel therapy for erythropoietic protoporphyrinopathy (EPP) and X-linked protoporphyrinopathy (XLP) 匹兹堡大学联邦高等教育系统 2022-02-25 CN disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
WO-2020236901-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-11-26 WO disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 US disclosed
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-30 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 (9 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR ALOX15 2548/4885TSHR 3853/4885HSD17B10 1828/4885
US-12528808-B2 Therapy for erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP) ABCC3, ABCC2, ABCB7 ALOX15 3916/4885TSHR 2892/4885HSD17B10 2171/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR ALOX15 2548/4885TSHR 3853/4885HSD17B10 1828/4885
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 ALOX15 3382/4885TSHR 963/4885HSD17B10 2737/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR ALOX15 2548/4885TSHR 3853/4885HSD17B10 1828/4885
US-20220249473-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) XPA, TPX2, XPOT ALOX15 3859/4885TSHR 3760/4885HSD17B10 3082/4885
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors PHKG1, MAP3K20, MKNK1 ALOX15 4461/4885TSHR 3421/4885HSD17B10 2316/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ALOX15 3959/4885TSHR 1105/4885HSD17B10 3813/4885
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS PHKG1, MAP3K20, MKNK1 ALOX15 4461/4885TSHR 3421/4885HSD17B10 2316/4885

“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.