SCHEMBL17147754

SCHEMBL17147754

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nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.55
NLRP3 Q96P20 2/20 0.55
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
CYP3A4 P08684 3/20 0.44
NFKB1 P19838 2/20 0.44
CYP1A2 P05177 2/20 0.44
STAT6 P42226 2/20 0.44
MAPT P10636 2/20 0.44
PTGS2 P35354 2/20 0.44
CASP1 P29466 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL17147746 1.00 PKM (0.55) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL18334098 0.83 PKM (0.51) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL29368384 0.82 PKM (0.44) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL30463131 0.79 PKM (0.47) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL21527011 0.77 PKM (0.48) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL17147744 0.77 PKM (0.46) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL18334095 0.77 PKM (0.46) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL29756635 0.75 CYP19A1 (0.53) PKMNLRP3ALDH1A1LMNATP53
SCHEMBL26313818 0.73 PKM (0.42) PKMNLRP3ALDH1A1LMNATP53
Reynosin SCHEMBL1683362 0.72 PKM (0.51) PKMNLRP3ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463644-B2 Uses of sesquiterpene lactone compounds and their derivatives in drugs preparation ACCENDATECH (CN) 2019-11-05 US disclosed
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION ACCENDATECH (CN) 2016-12-22 US disclosed
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION ACCENDATECH (CN) 2016-12-22 US disclosed
US-20150336919-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. (KR) 2015-11-26 US disclosed
US-20150336919-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. (KR) 2015-11-26 US disclosed
US-20150299155-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. 2015-10-22 US disclosed
US-20150299155-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM. CO., LTD. 2015-10-22 US disclosed
US-20150284353-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM, CO., LTD. a corporation 2015-10-08 US disclosed
US-20150284353-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases CHO DANG PHARM, CO., LTD. a corporation 2015-10-08 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 (5 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-10463644-B2 Uses of sesquiterpene lactone compounds and their derivatives in drugs preparation MCL1, TNF, LSS PKM 3846/4885NLRP3 745/4885ALDH1A1 70/4885
US-20150336919-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, PGC PKM 2651/4885NLRP3 343/4885ALDH1A1 2076/4885
US-20150284353-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, GGPS1 PKM 2717/4885NLRP3 320/4885ALDH1A1 2157/4885
US-20160367525-A1 USES OF SESQUITERPENE LACTONE COMPOUNDS AND THEIR DERIVATIVES IN DRUGS PREPARATION MCL1, TNF, LSS PKM 3846/4885NLRP3 745/4885ALDH1A1 70/4885
US-20150299155-A1 Sesquiterpene lactone-based pharmaceutical composition for treating gastrointestinal diseases SI, VIP, PGC PKM 2651/4885NLRP3 343/4885ALDH1A1 2076/4885

“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.