Lisofylline, (S)-

Lisofylline, (S)-

SCHEMBL1495100

C[C@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.67
▸ TNF P01375 4/20 0.67
▸ USP2 O75604 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ ACHE P22303 1/20 0.67
▸ PDE4A P27815 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ PDE4B Q07343 1/20 0.67
▸ PDE4C Q08493 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ CHIT1 Q13231 1/20 0.58
▸ CHIA Q9BZP6 1/20 0.58
▸ AKR1B1 P15121 1/20 0.56
▸ GLA P06280 1/20 0.55
▸ BLM P54132 1/20 0.55

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
Lisofylline SCHEMBL39131 1.00 ADORA2B (0.67) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL680306 1.00 ADORA2B (0.67) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6777369 0.99 ADORA2B (0.66) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6779520 0.99 ADORA2B (0.66) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6774460 0.99 ADORA2B (0.66) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6780935 0.99 ADORA2B (0.66) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL10508600 0.99 ADORA2B (0.66) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL10517408 0.99 ADORA2B (0.66) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8686678 0.99 ADORA2B (0.66) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6778207 0.99 ADORA2B (0.66) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918987-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2018-03-20 — — US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
CN-106456647-A Methods of treating hyperglycemia 康塞特医药品有限公司 2017-02-22 — — CN disclosed
US-20170027946-A1 SUBSTITUTED XANTHINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2017-02-02 — — US disclosed
US-9492457-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-11-15 — — US disclosed
US-20150376665-A1 PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION CONCERT PHARMACEUTICALS, INC. 2015-12-31 — — US disclosed
US-20150272956-A1 SUBSTITUTED XANTHINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2015-10-01 — — US disclosed
US-9074233-B2 Process for preparing an enantiomerically enriched, deuterated secondary alcohol from a corresponding ketone without reducing deuterium incorporation CONCERT PHARMACEUTICALS, INC. (US) 2015-07-07 — — US disclosed
US-20150087660-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC DISEASES AND INFLAMMATORY DISORDERS KANDULA MAHESH (IN) 2015-03-26 — — US disclosed
US-20150087660-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC DISEASES AND INFLAMMATORY DISORDERS KANDULA MAHESH (IN) 2015-03-26 — — US disclosed
US-6780865-B1 SUBSTITUTED CHIRAL XANTHINE COMPOUND, STABILITY IN ADVERSE CHEMICAL AND DYNAMIC BIOLOGIC ENVIRONMENTS CELL THERAPEUTICS, INC. 2004-08-24 — — US disclosed
US-6469017-B1 IN INFLAMMATORY DISORDERS; INHIBITION OF IL-12 SIGNALING DECREASES THE PRODUCTION OF IFN-GAMMA, THUS MITIGATING THE INFLAMMATORY RESPONSE IN DISEASE CELL THERAPEUTICS, INC. 2002-10-22 — — 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
US-6075029-A Xanthine modulators of metabolism of cellular P-450 CELL THERAPEUTICS, INC. (US) 2000-06-13 — — US disclosed
US-5710272-A INCREASING CEREBRAL BLOOD FLOW HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 — — US disclosed
EP-0435152-B1 Process for the enantioselective preparation of (omega-1)-hydroxyalkylxanthines HOECHST AG (DE) 1996-11-13 — — EP disclosed
US-5472873-A Rhodotorula rubra useful in a process for the preparation of (ω-1)-hydroxyalkylxanthines HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-05 — — US disclosed
US-5310666-A Vascular disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-10 — — US disclosed
EP-0435152-A2 Process for the enantioselective preparation of (omega-1)-hydroxyalkylxanthines HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 — — EP 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 (5 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A ADORA2B 116/4885TNF 45/4885USP2 649/4885
US-20170027946-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 ADORA2B 60/4885TNF 583/4885USP2 4016/4885
US-20150272956-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 ADORA2B 60/4885TNF 583/4885USP2 4016/4885
US-20150376665-A1 PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION ADH1A, ADH1C, ADH5 ADORA2B 3309/4885TNF 4258/4885USP2 2600/4885
US-20150087660-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC DISEASES AND INFLAMMATORY DISORDERS IL1B, IAPP, CXCL12 ADORA2B 1060/4885TNF 39/4885USP2 4836/4885

“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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