SCHEMBL5541754

SCHEMBL5541754

FC(F)(F)c1ccccc1-c1[c]cco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
SCN9A Q15858 2/20 0.42
HSD11B1 P28845 2/20 0.40
PSMB8 P28062 1/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 3/20 0.36
CYP2C19 P33261 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL5544608 0.75 NOTUM (0.40) NOTUMPIK3R1PIK3CAALDH1A1MAPK1
SCHEMBL197671 0.72 HSD11B1 (0.56) NOTUMHSD11B1PSMB8CYP1A2CYP3A4
SCHEMBL1477743 0.71 CYP2A6 (0.46) NOTUMHSD11B1ALDH1A1HSD17B10TSHR
SCHEMBL3784695 0.71 ALDH1A1 (0.48) CYP3A4ALDH1A1ALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL29010139 0.70 HSD11B1 (0.54) NOTUMHSD11B1PSMB8CYP1A2CYP3A4
SCHEMBL8022901 0.70 HSD11B1 (0.54) NOTUMHSD11B1PSMB8CYP1A2CYP3A4
SCHEMBL16401835 0.69 PIK3R1 (0.56) NOTUMHSD11B1PSMB8PIK3R1PIK3CA
SCHEMBL3636361 0.69 HSD11B1 (0.42) NOTUMSCN9AHSD11B1PSMB8CYP1A2
SCHEMBL1369845 0.69 HSD11B1 (0.42) NOTUMSCN9AHSD11B1PSMB8CYP1A2
SCHEMBL2205009 0.69 NOTUM (0.44) NOTUMSCN9AHSD11B1PSMB8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents UNIVERSITY OF ROCHESTER (US) 2023-04-25 US claimed
US-20200277270-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS UNIVERSITY OF ROCHESTER 2020-09-03 US claimed
WO-2019040335-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS UNIVERSITY OF ROCHESTER (US) 2019-02-28 WO claimed
US-20160115508-A1 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-04-28 US claimed
EP-3003317-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS University Of Rochester (US) 2016-04-13 EP claimed
WO-2014197591-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS UNIVERSITY OF ROCHESTER (US) 2014-12-11 WO claimed
US-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents UNIVERSITY OF ROCHESTER (US) 2023-04-25 US disclosed
US-20200277270-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS UNIVERSITY OF ROCHESTER 2020-09-03 US disclosed
WO-2019040335-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS UNIVERSITY OF ROCHESTER (US) 2019-02-28 WO disclosed
US-20160115508-A1 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-04-28 US disclosed
EP-3003317-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS University Of Rochester (US) 2016-04-13 EP disclosed
WO-2014197591-A2 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS UNIVERSITY OF ROCHESTER (US) 2014-12-11 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885SCN9A 3612/4885HSD11B1 256/4885
US-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents TNF, C9, CYP51A1 NOTUM 319/4885SCN9A 4579/4885HSD11B1 106/4885
US-20200277270-A1 MICHELIOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS TNF, C9, CYP51A1 NOTUM 319/4885SCN9A 4579/4885HSD11B1 106/4885
US-20160115508-A1 PARTHENOLIDE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS ANTICANCER AGENTS CYP3A43, POR, CYP3A4 NOTUM 99/4885SCN9A 4005/4885HSD11B1 84/4885

“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.