Sugi Predict

Sugi Predict / Compounds / SCHEMBL2184644

SCHEMBL2184644

SCHEMBL2184644

COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12.FBF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.50
▸ KDM4E B2RXH2 6/20 0.49
▸ HPGD P15428 4/20 0.49
▸ KCNH2 Q12809 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GSK3B P49841 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TOP2A P11388 3/20 0.43
▸ TOP2B Q02880 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5874117 0.97 CYP3A4 (0.52) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL6957083 0.97 CYP3A4 (0.52) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL483163 0.97 CYP3A4 (0.52) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL5874122 0.97 CYP3A4 (0.52) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL12427275 0.97 CYP3A4 (0.52) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL83072 0.94 CYP3A4 (0.50) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL4747705 0.87 CYP3A4 (0.51) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL13790024 0.87 CYP3A4 (0.51) CYP3A4KDM4EHPGDKCNH2ALDH1A1
SCHEMBL4368210 0.87 KDM4E (0.62) KDM4EHPGDKCNH2ALDH1A1HSD17B10
SCHEMBL2182111 0.86 TOP2A (0.48) CYP3A4KDM4EKCNH2ALDH1A1POLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 — — EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 — — US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 — — US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 — — US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 — — US disclosed
US-8003666-B2 Hydrate for medical purposes DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-23 — — US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 — — US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 — — US disclosed
US-7842818-B2 Process for preparation of tetrasubstituted 5-azaspiro[2.4]- heptane derivatives and optically active intermediates thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-30 — — US disclosed
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-16 — — US disclosed
EP-2000467-A9 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2009-03-18 — — EP disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 — — EP disclosed
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 — — EP disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 — — US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 — — EP disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 — — US disclosed
US-6656952-B2 As antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-02 — — US disclosed
EP-0995744-B1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-02-12 — — EP disclosed
US-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-13 — — US disclosed
EP-0995744-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 — — 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 (6 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-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE Q6ZSR9, MRPL21, ABCC1 CYP3A4 219/4885KDM4E 707/4885HPGD 1909/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L CYP3A4 871/4885KDM4E 2926/4885HPGD 2443/4885
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 CYP3A4 323/4885KDM4E 2368/4885HPGD 578/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 CYP3A4 491/4885KDM4E 2911/4885HPGD 1055/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL CYP3A4 548/4885KDM4E 1998/4885HPGD 268/4885
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES HTR7, UGT1A7, H1-5 CYP3A4 355/4885KDM4E 1664/4885HPGD 327/4885

“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.