SCHEMBL752953

SCHEMBL752953

COCNC(=O)c1oc(C2(O)CCS(=O)(=O)CC2)cc1Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MME P08473 1/20 0.34
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
CNR2 P34972 6/20 0.33
CNR1 P21554 4/20 0.33
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
LMNA P02545 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16921579 0.82 CCNT1 (0.33) CCNT1CDK9MMP1MMP13CNR2
SCHEMBL10290074 0.81 CNR2 (0.35) CCNT1CDK9MMP1MMP13CNR2
SCHEMBL18531595 0.78 CNR2 (0.38) CNR2CNR1KMT2ASMN1; SMN2MEN1
SCHEMBL754069 0.77 MMP3 (0.41) MMP1MMP13CNR2CNR1KMT2A
SCHEMBL2484219 0.76 ALDH1A1 (0.39) CNR2CNR1KMT2ALMNAL3MBTL1
SCHEMBL18531597 0.74 HSP90AA1 (0.37) CNR2CNR1KMT2ASMN1; SMN2MEN1
SCHEMBL27756470 0.74 MAPK14 (0.36) CNR2CNR1KMT2AMEN1LMNA
SCHEMBL754819 0.73 HSD11B1 (0.37) CNR2CNR1LMNAGPR55
SCHEMBL756034 0.73 TP53 (0.39) CNR2CNR1KMT2ASMN1; SMN2MEN1
SCHEMBL756036 0.73 MAPK14 (0.36) CNR2CNR1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CCNT1 59/4885CDK9 75/4885MME 1459/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CCNT1 86/4885CDK9 25/4885MME 1100/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CCNT1 86/4885CDK9 25/4885MME 1100/4885

“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.