SCHEMBL3624477

SCHEMBL3624477

CCOC(=O)CNc1cccc2c1C(=O)c1sccc1CS2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
NLRP3 Q96P20 5/20 0.35
PKM P14618 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 3/20 0.32
ELANE P08246 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL5766199 0.88 ALDH1A1 (0.42) NLRP3MEN1KMT2APTPN1KDM4E
SCHEMBL3618251 0.83 ELANE (0.33) LMNANLRP3MEN1KMT2APTPN1
SCHEMBL3624434 0.80 NPSR1 (0.40) LMNANLRP3PKMHTTPTPN1
SCHEMBL5766878 0.79 CCNE2 (0.42) KDM4EMAPTALDH1A1
SCHEMBL5764891 0.78 KDM4E (0.35) KDM4EMAPTALDH1A1CA12CA2
SCHEMBL3624777 0.77 HSD17B10 (0.39) HTTMEN1KMT2AKDM4EMAPT
SCHEMBL5765951 0.77 KDM4E (0.32) LMNAKDM4EMAPT
SCHEMBL5765490 0.76 KDM4E (0.37) LMNAKMT2AKDM4EMAPTCA12
SCHEMBL5766496 0.76 ALDH1A1 (0.35) KDM4EMAPTALDH1A1
SCHEMBL5679654 0.76 HDAC3 (0.35) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-10-21 US disclosed
EP-2077122-A1 THERAPEUTIC AGENTS FOR IRRITABLE BOWEL SYNDROME Kyowa Hakko Kirin Co., Ltd. (JP) 2009-07-08 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 (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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME SLC10A2, ADORA3, HRH2 LMNA 4307/4885NLRP3 1311/4885PKM 3058/4885

“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.