SCHEMBL754043

SCHEMBL754043

COC(=O)CC(=O)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 1/20 0.49
GAA P10253 3/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
KLK7 P49862 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL378218 0.86 CYP4F2 (0.63) KMT2AMEN1MAPK1GAACYP4F2
SCHEMBL17070607 0.86 CYP4F2 (0.63) KMT2AMEN1MAPK1GAACYP4F2
SCHEMBL699965 0.84 KDM4E (0.50) KMT2AMEN1GAATDP1SMN1; SMN2
SCHEMBL5802908 0.83 CA2 (0.50) GAACYP4F2CYP4A11CA12CA2
Nitrogen SCHEMBL27904011 0.83 KMT2A (0.60) KMT2AMEN1MAPK1GAACYP4F2
SCHEMBL10140460 0.83 CYP4F2 (0.50) KMT2AMEN1GAACYP4F2CYP4A11
SCHEMBL6795893 0.83 TDP1 (0.50) KMT2AMEN1GAACYP4F2CYP4A11
SCHEMBL23043726 0.83 KDM4E (0.49) KMT2AMEN1MAPK1GAATDP1
SCHEMBL755111 0.82 F2RL1 (0.57) CYP4F2CYP4A11CA12CA2CA7
SCHEMBL10829361 0.81 CYP4F2 (0.49) KMT2AGAACYP4F2CYP4A11SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885MEN1 4775/4885MAPK1 3073/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMT2A 667/4885MEN1 4775/4885MAPK1 3073/4885

“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.