SCHEMBL16861237

SCHEMBL16861237

CCCCCOC1SC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
GBA1 P04062 2/20 0.38
LMNA P02545 3/20 0.37
EPHX2 P34913 1/20 0.36
NAAA Q02083 3/20 0.36
TSHR P16473 3/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL645409 0.69 EPHX2 (0.62) LMNAEPHX2TSHRALDH1A1KDM4E
SCHEMBL19542362 0.68 EPHX2 (0.64) EPHX2TSHRKDM4EHTT
SCHEMBL7109117 0.66 LMNA (0.38) LMNAEPHX2TSHRGPR84ALDH1A1
SCHEMBL16861239 0.66 GBA1 (0.34) GBA1LMNAEPHX2NAAATSHR
SCHEMBL28153842 0.66 NPC1 (0.48) GBA1LMNANAAAALDH1A1
SCHEMBL23257829 0.64 TSHR (0.45) LMNAEPHX2TSHRGPR84
SCHEMBL27597851 0.64 NPC1 (0.47) GBA1LMNANAAAALDH1A1
Methane SCHEMBL27666784 0.64 NPC1 (0.47) GBA1LMNANAAAALDH1A1
SCHEMBL28050144 0.64 LMNA (0.36) GBA1LMNANAAAALDH1A1KDM4E
SCHEMBL8393327 0.63 GBA1 (0.42) GBA1LMNAEPHX2NAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246470-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2019-04-02 US disclosed
US-20180346486-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2018-12-06 US disclosed
US-10011609-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2018-07-03 US disclosed
EP-3068788-A1 NOVEL HETEROCYCLIC COMPOUNDS Cadila Healthcare Limited (IN) 2016-09-21 EP disclosed
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-09-08 US disclosed
CN-105722841-A Novel Heterocyclic Compounds 卡迪拉保健有限公司 2016-06-29 CN disclosed
WO-2015097713-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2015-07-02 WO 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-10011609-B2 Heterocyclic compounds GPR55, GPR68, GPR65 ADRB1 30/4885GBA1 2670/4885LMNA 2902/4885
US-20180346486-A1 NOVEL HETEROCYCLIC COMPOUNDS HK1, HAAO, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRB1 3006/4885GBA1 1066/4885LMNA 3259/4885
US-10246470-B2 Heterocyclic compounds HAAO, HK1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRB1 3143/4885GBA1 964/4885LMNA 2083/4885
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS GPR55, GPR68, GPR65 ADRB1 25/4885GBA1 2644/4885LMNA 3125/4885

“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.