Sugi Predict

Sugi Predict / Compounds / SCHEMBL17233307

SCHEMBL17233307

SCHEMBL17233307

CCc1cc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.62
▸ CXCR1 P25024 7/20 0.38
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LARS1 Q9P2J5 1/20 0.34

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
SCHEMBL17233349 0.90 KCNH2 (0.50) KCNH2CXCR1MAPTL3MBTL1NPC1
SCHEMBL20215529 0.83 KCNH2 (0.68) KCNH2LARS1
SCHEMBL17233268 0.83 KCNH2 (0.61) KCNH2CXCR1RAB9ALARS1
SCHEMBL17232990 0.83 KCNH2 (0.63) KCNH2CYP19A1LARS1
SCHEMBL18609161 0.82 KCNH2 (0.71) KCNH2SMN1; SMN2LARS1
SCHEMBL17232967 0.82 KCNH2 (0.62) KCNH2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17233236 0.82 KCNH2 (0.66) KCNH2LARS1
SCHEMBL17232979 0.80 KCNH2 (0.60) KCNH2
SCHEMBL17233252 0.80 KCNH2 (0.61) KCNH2LARS1
SCHEMBL17232987 0.79 KCNH2 (0.63) KCNH2MAPTL3MBTL1NPC1RAB9A

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
EP-3138840-B1 THIADIAZOLIDINE DERIVATIVE AS ANTI-ENTEROVIRUS 71 JIANGSU KANION PHARMACEUTICAL CO LTD (CN) 2020-09-23 — — EP disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 — — US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 — — US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 — — US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 — — US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 — — US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 — — US disclosed
EP-3138840-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion Pharmaceutical Co., Ltd. (CN) 2017-03-08 — — EP disclosed
WO-2015165340-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE 南京明德新药研发股份有限公司 2015-11-05 — — 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 (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-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 KCNH2 1128/4885CXCR1 1967/4885MAPT 3673/4885

“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.