SCHEMBL4241305

SCHEMBL4241305

CC(C)(O)Cn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.56
GGPS1 O95749 3/20 0.55
BTN3A1 O00481 1/20 0.55
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP14 P50281 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ALDH1A1 P00352 1/20 0.45
TBXAS1 P24557 5/20 0.45
IDH1 O75874 2/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
QPCT Q16769 1/20 0.41
CYP2B6 P20813 1/20 0.41

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
SCHEMBL2697302 0.82 CYP11B1 (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL20094967 0.80 FDPS (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL19004884 0.80 FDPS (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL19200881 0.79 FDPS (0.49) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL16084711 0.78 FDPS (0.56) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL4682917 0.78 FDPS (0.52) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL3690697 0.78 TBXAS1 (0.64) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL4968502 0.78 FDPS (0.51) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL15397151 0.77 FDPS (0.70) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL18733094 0.77 FDPS (0.47) FDPSGGPS1BTN3A1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002327-A1 SMALL-MOLECULE REGULATOR OF TLR8 TSINGHUA UNIVERSITY (CN) 2023-01-05 US disclosed
US-20230002327-A1 SMALL-MOLECULE REGULATOR OF TLR8 TSINGHUA UNIVERSITY (CN) 2023-01-05 US disclosed
CN-112174903-B Small molecule modulators of TLR8 清华大学 2022-07-12 CN disclosed
EP-3998255-A1 SMALL-MOLECULE REGULATOR OF TLR8 Tsinghua University (CN) 2022-05-18 EP disclosed
WO-2021000755-A1 SMALL-MOLECULE REGULATOR OF TLR8 清华大学 2021-01-07 WO disclosed
CN-112174903-A Small molecule modulators of TLR8 清华大学 2021-01-05 CN disclosed
EP-2029169-A2 RECOMBINANT VIRAL VACCINE TRANSGENE S.A. (FR) 2009-03-04 EP disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
WO-2007147529-A2 RECOMBINANT VIRAL VACCINE TRANSGENE S.A. (FR) 2007-12-27 WO disclosed
EP-1000620-B1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-12-07 EP disclosed
EP-1121933-A1 Premixed alatrofloxacin injectable compositions Pfizer Products Inc. (US) 2001-08-08 EP disclosed
US-6166036-A Lp(a)-lowering agent and apolipoprotein (a) formation suppressing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000620-A1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBTORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5677299-A VASOPRESSIN OR OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-10-14 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
US-5498609-A Benzoazepinyl compounds as oxytocin and vasopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5145865-A Fatty acid, cholesterol synthesis inhibitors; enzyme inhibitors; antilipemic agents OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1992-09-08 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 (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-20230002327-A1 SMALL-MOLECULE REGULATOR OF TLR8 TLR8, TLR6, TLR1 FDPS 3145/4885GGPS1 2237/4885BTN3A1 3828/4885

“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.