SCHEMBL6346607

SCHEMBL6346607

CC(=O)O[C@H](C)CCCCn1c(=O)c2c(n(C)c1=O)=NC(=O)N=2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PMP22 Q01453 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ TNF P01375 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL6351112 0.83 TNF (0.32) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6356080 0.76 LMNA (0.34) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6356082 0.76 LMNA (0.34) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6358826 0.74 ADORA2A (0.43) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6358828 0.74 ADORA2A (0.43) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6189315 0.74 TNF (0.49) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6351339 0.74 TNF (0.41) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6351343 0.74 TNF (0.41) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6346617 0.73 TNF (0.58) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6346624 0.73 TNF (0.58) LMNACYP1A2NFKB1ACHEPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 LMNA 2677/4885CYP1A2 1270/4885NFKB1 541/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 LMNA 2104/4885CYP1A2 2672/4885NFKB1 472/4885
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 LMNA 767/4885CYP1A2 3217/4885NFKB1 1058/4885

“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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