SCHEMBL681598

SCHEMBL681598

C[C@@H](O)CCCCn1c(=O)c2c(nnn2C)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.41
NFKB1 P19838 2/20 0.41
ACHE P22303 2/20 0.41
PDE4A P27815 2/20 0.41
PMP22 Q01453 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2B P29275 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
ESR1 P03372 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
RAB9A P51151 1/20 0.36

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
SCHEMBL6346533 1.00 TNF (0.41) TNFLMNACYP1A2NFKB1ACHE
SCHEMBL681558 1.00 TNF (0.41) TNFLMNACYP1A2NFKB1ACHE
SCHEMBL6351339 0.83 TNF (0.41) TNFLMNACYP1A2NFKB1ACHE
SCHEMBL6351343 0.83 TNF (0.41) TNFLMNACYP1A2NFKB1ACHE
SCHEMBL19975701 0.79 TNF (0.46) TNFLMNACYP1A2NFKB1ACHE
SCHEMBL19975702 0.79 TNF (0.46) TNFLMNACYP1A2NFKB1ACHE
SCHEMBL8126411 0.79 TNF (0.46) TNFLMNACYP1A2NFKB1ACHE
Lisofylline SCHEMBL39131 0.78 ADORA2B (0.67) TNFLMNACYP1A2NFKB1ACHE
Lisofylline SCHEMBL680306 0.78 ADORA2B (0.67) TNFLMNACYP1A2NFKB1ACHE
Lisofylline, (S)- SCHEMBL1495100 0.78 ADORA2B (0.67) TNFLMNACYP1A2NFKB1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
WO-2008011518-A2 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2008-01-24 WO disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
EP-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 US disclosed
US-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease CELL THERAPEUTICS, INC. (US) 2005-02-10 US disclosed
US-6774130-B2 TREATING CHRONIC INFLAMMATORY DISEASE, CHRONIC INTESTINAL INFLAMMATION, ARTHRITIS, PSORIASIS, ASTHMA AND AUTOIMMUNE DISORDERS; TH1 CELL-MEDIATED DISORDERS; FOR EXAMPLE, 1,2,3,6-TETRAHYDRO-7H-PURINE-2,6-DIONE DERIVATIVES CELL THERAPEUTICS, INC. 2004-08-10 US disclosed
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CELL THERAPEUTICS, INC. 2002-03-07 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 WO 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 (7 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 TNF 673/4885LMNA 376/4885CYP1A2 4847/4885
US-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease TPMT, IL2, NFATC1 TNF 274/4885LMNA 2677/4885CYP1A2 1270/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 TNF 558/4885LMNA 350/4885CYP1A2 4806/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 TNF 1268/4885LMNA 2104/4885CYP1A2 2672/4885
US-20090269313-A1 ENCAPSULATION SYSTEM GPR119, IAPP, LIPA TNF 1974/4885LMNA 311/4885CYP1A2 4172/4885
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 TNF 1369/4885LMNA 767/4885CYP1A2 3217/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A TNF 843/4885LMNA 1488/4885CYP1A2 4507/4885

“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.