Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363877

SCHEMBL3363877

SCHEMBL3363877

COC(CC(=O)O)(OC)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ KCNN4 O15554 1/20 0.52
▸ CES1 P23141 1/20 0.47
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL28022252 0.88 KCNN4 (0.52) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL28285077 0.86 KCNN4 (0.50) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL27701981 0.85 KCNN4 (0.53) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL1051513 0.84 CYP2C19 (0.57) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL13931399 0.81 KCNN4 (0.48) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL27665132 0.81 CYP2C19 (0.53) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL27665131 0.79 CYP2C19 (0.52) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL27651289 0.78 KCNN4 (0.46) CYP2C19HIF1AKCNN4CES1MAPT
SCHEMBL6387363 0.77 CYP2C19 (0.53) CYP2C19HIF1AKCNN4CES1KMT2A
SCHEMBL670714 0.77 KCNN4 (0.47) CYP2C19HIF1AKCNN4CES1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451334-B2 PULSE ADMINISTERING OF A C1-C4 SUBSTITUTED AND/OR PHENYL SUBSTITUTED CARBOXYLIC ACID AND SALTS AND A CARRIER OR DILUENT TO STIMULATE CELLS IN TREATING BLOOD DISORDERS, E.G. SICKLE CELL ANEMIA, THALASSEMIA, BLOOD LOSS ETC. Perrine, Susan P. 2002-09-17 — — US claimed
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 — — CN disclosed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 — — CN disclosed
CN-112105610-A Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2020-12-18 — — CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
CN-100404479-C Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2008-07-23 — — CN disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US disclosed
CN-1871188-A Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2006-11-29 — — CN disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 — — EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 — — WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 — — US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 — — US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 — — WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 — — EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 — — WO disclosed
US-6451334-B2 PULSE ADMINISTERING OF A C1-C4 SUBSTITUTED AND/OR PHENYL SUBSTITUTED CARBOXYLIC ACID AND SALTS AND A CARRIER OR DILUENT TO STIMULATE CELLS IN TREATING BLOOD DISORDERS, E.G. SICKLE CELL ANEMIA, THALASSEMIA, BLOOD LOSS ETC. Perrine, Susan P. 2002-09-17 — — US disclosed
US-20010027215-A1 Compositions and administration of compositions for the treatment of blood disorders SUSAN PERRINE 2001-10-04 — — US disclosed
US-6231880-B1 ANTIGROWTH AGENTS FOR CELLS BY STIMULATING TO PATIENTS AND EFFECTIVE DIMETHYL SUBSTITUTED CARBOXYLIC ACID Perrine, Susan P. 2001-05-15 — — 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP CYP2C19 4270/4885HIF1A 3944/4885KCNN4 4736/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS CYP2C19 1353/4885HIF1A 4185/4885KCNN4 4386/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CYP2C19 4153/4885HIF1A 4003/4885KCNN4 4722/4885

“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.