1-[4-Carboxypropyl]-3,7-Dimethylxanthine

1-[4-Carboxypropyl]-3,7-Dimethylxanthine

SCHEMBL5420399

Cn1cnc2c1c(=O)n(CCCC(=O)O)c(=O)n2C

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.74
▸ TNF P01375 5/20 0.74
▸ USP2 O75604 1/20 0.74
▸ LMNA P02545 1/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ NFKB1 P19838 1/20 0.74
▸ ACHE P22303 1/20 0.74
▸ PDE4A P27815 1/20 0.74
▸ PMP22 Q01453 1/20 0.74
▸ PDE4B Q07343 1/20 0.74
▸ PDE4C Q08493 1/20 0.74
▸ PDE4D Q08499 1/20 0.74
▸ SMN1; SMN2 Q16637 1/20 0.74
▸ RXFP1 Q9HBX9 1/20 0.74
▸ CHIT1 Q13231 1/20 0.60
▸ CHIA Q9BZP6 1/20 0.60
▸ GLA P06280 1/20 0.58
▸ BLM P54132 1/20 0.58

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
SCHEMBL5412111 0.96 ADORA2B (0.81) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL10522005 0.95 ADORA2B (0.79) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8570022 0.92 ADORA2B (0.77) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL10519753 0.89 ADORA2B (0.92) ADORA2BTNFUSP2LMNACYP1A2
Bisdionin C SCHEMBL10018600 0.87 CHIT1 (0.75) ADORA2BTNFUSP2LMNACYP1A2
Bisdionin D SCHEMBL16120988 0.87 ADORA2B (0.79) ADORA2BTNFUSP2LMNACYP1A2
Caffeine SCHEMBL16568874 0.86 ADORA2B (0.71) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL10521493 0.86 ADORA2B (0.70) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL16120981 0.86 ADORA2B (0.77) ADORA2BTNFUSP2LMNACYP1A2
Pentoxifylline SCHEMBL3986204 0.85 ADORA2B (1.00) ADORA2BTNFUSP2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956855-B1 Immunosuppressive effects of 8 substituted xanthine derivatives LEUVEN K U RES & DEV (BE) 2003-03-12 — — EP claimed
US-6075027-A Treatment and prevention of hepatic disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-13 — — US claimed
EP-0956855-A1 Immunosuppressive effects of 8-substituted xanthine derivatives K.U. Leuven Research & Development (BE) 1999-11-17 — — EP claimed
WO-1998014181-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-09 — — WO claimed
EP-0484785-B1 Use of xanthines for the preparation of a medicament effective for inhibiting the replication of human retroviruses HOECHST ROUSSEL PHARMA (US) 1996-05-22 — — EP claimed
US-5112827-A Purine derivatives, pentoxifylline, anticholesterol, arterial antideposit agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-12 — — US claimed
CN-117482063-A Pentoxifylline sustained release tablet and preparation method thereof 海南皇隆制药股份有限公司 2024-02-02 — — CN disclosed
US-20220000875-A1 TOPICAL COMPOSITIONS COMPRISING PENTOXIFYLLINE AND METHODS OF TREATMENT USING THE SAME COTE TIM (US) 2022-01-06 — — US disclosed
US-20200138822-A1 TOPICAL COMPOSITIONS COMPRISING PENTOXIFYLLINE AND METHODS OF TREATMENT USING THE SAME COTE TIM (US) 2020-05-07 — — US disclosed
EP-2265612-B1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2017-04-05 — — EP disclosed
US-9493463-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-9493463-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-20150322068-A1 SUBSTITUTED XANTHINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2015-11-12 — — US disclosed
US-5603954-A DOSAGE, DRUG DELIVERY, TIME-RELEASE AGENTS ALZA CORPORATION (US) 1997-02-18 — — US disclosed
US-5532003-A Pentoxifylline therapy ALZA CORPORATION (US) 1996-07-02 — — US disclosed
WO-1995019174-A1 PENTOXIFYLLINE DOSAGE FORM ALZA CORPORATION (US) 1995-07-20 — — WO disclosed
EP-0493682-A2 Use of xanthines for the preparation of a medicament effective for inhibiting the effects of allograft reaction in humans HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-08 — — EP disclosed
EP-0490181-A1 Use of xanthines for preparation of a medicament having immunosuppressing activity HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-17 — — EP disclosed
EP-0484785-A2 Use of xanthines for the preparation of a medicament effective for inhibiting the replication of human retroviruses HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 — — EP disclosed
US-5112827-A Purine derivatives, pentoxifylline, anticholesterol, arterial antideposit agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-12 — — 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-20150322068-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 ADORA2B 60/4885TNF 583/4885USP2 4016/4885
US-20200138822-A1 TOPICAL COMPOSITIONS COMPRISING PENTOXIFYLLINE AND METHODS OF TREATMENT USING THE SAME TYMP, PDE3A, PDE3B ADORA2B 310/4885TNF 807/4885USP2 2923/4885
US-20220000875-A1 TOPICAL COMPOSITIONS COMPRISING PENTOXIFYLLINE AND METHODS OF TREATMENT USING THE SAME TYMP, PDE3A, PDE3B ADORA2B 310/4885TNF 807/4885USP2 2923/4885

“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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