SCHEMBL8544868

SCHEMBL8544868

COc1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.53
CYP1A1 P04798 3/20 0.53
CYP1B1 Q16678 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2E1 P05181 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP4B1 P13584 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP3A5 P20815 1/20 0.53
CYP2A7 P20853 1/20 0.53
CYP3A7 P24462 1/20 0.53
CYP2F1 P24903 1/20 0.53
CYP2C18 P33260 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2J2 P51589 1/20 0.53
CYP4F2 P78329 1/20 0.53

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
SCHEMBL9376523 0.93 DHODH (0.49) ALPLCYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL9370476 0.87 HSD17B10 (0.47) ALPLCYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL9376516 0.87 CYP1A2 (0.51) ALPLCYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL17595027 0.85 ESR1 (0.56) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL9374446 0.83 MCL1 (0.57) KDM4EMCL1P4HTMMAPTL3MBTL1
SCHEMBL10387678 0.80 LMNA (0.49) CYP1A2CYP3A4KDM4EMCL1SMN1; SMN2
SCHEMBL9370649 0.79 ESR1 (0.50) KDM4EMCL1DHODHADORA3ALDH1A1
SCHEMBL17595320 0.79 MCL1 (0.71) ALPLMCL1SMN1; SMN2ADORA3MAPT
SCHEMBL9370136 0.79 MCL1 (0.52) KDM4EMCL1P4HTMSMN1; SMN2MAPT
SCHEMBL9823342 0.78 CYP1A1 (0.63) ALPLCYP1A1CYP1B1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US claimed
EP-3191451-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME Okinawa Institute of Science and Technology School Corporation (JP) 2017-07-19 EP claimed
WO-2016038890-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-03-17 WO claimed
EP-0525825-B1 Substituted dicarboxy pyridine compounds EG & G WALLAC OY (FI) 1998-12-09 EP disclosed
EP-0341298-B1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES BAXTER DIAGNOSTICS INC (US) 1994-06-22 EP disclosed
EP-0195413-B1 Substituted pyridine derivatives BAXTER DIAGNOSTICS INC (US) 1993-11-18 EP disclosed
US-5252740-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1993-10-12 US disclosed
US-5245038-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1993-09-14 US disclosed
EP-0525825-A2 Substituted dicarboxy pyridine compounds Dade MicroScan Inc. (US) 1993-02-03 EP disclosed
US-5116989-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1992-05-26 US disclosed
US-5106957-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1992-04-21 US disclosed
US-5055578-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1991-10-08 US disclosed
US-5032677-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER INTERNATIONAL INC. (US) 1991-07-16 US disclosed
EP-0341298-A4 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES. BAXTER INT (US) 1990-02-20 EP disclosed
EP-0341298-A1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES Baxter Diagnostics Inc. (US) 1989-11-15 EP disclosed
WO-1989004826-A1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES BAXTER INTERNATIONAL INC. (US) 1989-06-01 WO disclosed
US-4761481-A FLUORESCENT CHELATES, AMINE ACID COMPOUNDS BAXTER TRAVENOL LABORATORIES, INC. (US) 1988-08-02 US disclosed
EP-0195413-A2 Substituted pyridine derivatives Baxter Diagnostics Inc. (US) 1986-09-24 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 (1 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-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 ALPL 4241/4885CYP1A1 244/4885CYP1B1 234/4885

“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.