SCHEMBL2289698

SCHEMBL2289698

COC(=O)COCC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
HSD17B10 Q99714 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TET2 Q6N021 1/20 0.33
PTGS2 P35354 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 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
SCHEMBL1335833 0.87 TSHR (0.56) TSHRHSD17B10MGAMGAASI
SCHEMBL2262348 0.81
Ethylene Glycol SCHEMBL9359880 0.79 TSHR (0.48) TSHRHSD17B10MGAMGAASI
Ethylene Glycol SCHEMBL9359829 0.79 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL444220 0.77 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL4227211 0.77
SCHEMBL8893700 0.77 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL11956800 0.77 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL692344 0.77 MGAM (0.55) TSHRHSD17B10MGAMGAASI
SCHEMBL7263021 0.76 GAA (0.48) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989625-B2 Thienopyridines MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
US-20100048558-A1 THIENOPYRIDINES MERCK PATENT GESELLSCHAFT (DE) 2010-02-25 US disclosed
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 EP disclosed
US-6780872-B2 ASTHMA; ANTIEPILEPTIC AGENTS; SEXUAL DISORDERS ABBOTT LABORATORIES 2004-08-24 US disclosed
EP-1259510-B1 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-06-02 EP disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 US disclosed
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers DRIZIN IRENE (US) 2003-09-11 US disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US disclosed
US-6538004-B2 Potassium channel modulators relax smooth muscle cells and inhibit bladder contractions; treating nervous, eating, cardiovascular, gastrointestinal, and sexual disorders ABBOTT LABORATORIES 2003-03-25 US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed
EP-1124828-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 WO disclosed
US-6191140-B1 POTASSIUM CHANNEL MODULATORS; MUSCLE RELAXANTS; CONTROLLING CELL MEMBRANES ABBOTT LABORATORIES 2001-02-20 US disclosed
WO-2000024743-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
US-4616024-A Dihydropyridine anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1986-10-07 US disclosed
EP-0100189-B1 DIHYDROPYRIDINE ANTI-ISCHAEMIC AND ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1986-05-28 EP disclosed
US-4515799-A Dihydropyridine anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1985-05-07 US disclosed
EP-0100189-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1984-02-08 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 (4 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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 TSHR 2656/4885HSD17B10 3305/4885MGAM 4827/4885
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 TSHR 2774/4885HSD17B10 636/4885MGAM 4785/4885
US-20100048558-A1 THIENOPYRIDINES HSP90AB2P, HSP90AB1, HSP90AA1 TSHR 461/4885HSD17B10 2617/4885MGAM 4424/4885
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 TSHR 3173/4885HSD17B10 2241/4885MGAM 1416/4885

“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.