SCHEMBL15038544

SCHEMBL15038544

CC(C)C(C)C(=O)N1C(C)CC[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.41
DPP4 P27487 3/20 0.39
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL19658092 1.00 PHGDH (0.41) PHGDHDPP4RECQLALDH1A1MEN1
SCHEMBL19528227 1.00 PHGDH (0.41) PHGDHDPP4RECQLALDH1A1MEN1
SCHEMBL21146121 0.86 PHGDH (0.35) PHGDHDPP4RECQLALDH1A1MEN1
SCHEMBL17327110 0.85 ACE (0.41) PHGDHDPP4ALDH1A1MAPT
SCHEMBL15832329 0.83 DPP4 (0.36) PHGDHDPP4RECQLSMN1; SMN2
SCHEMBL20247480 0.83 DPP4 (0.44) PHGDHDPP4RECQLALDH1A1MEN1
SCHEMBL14616989 0.81 PHGDH (0.44) PHGDHDPP4RECQLALDH1A1MEN1
SCHEMBL13819922 0.81 PHGDH (0.44) PHGDHDPP4RECQLALDH1A1MEN1
SCHEMBL13819923 0.81 PHGDH (0.44) PHGDHDPP4RECQLALDH1A1MEN1
SCHEMBL19528347 0.79 DPP4 (0.41) PHGDHDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 EP disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
EP-3431477-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2019-01-23 EP disclosed
EP-2907816-B1 Condensed imidazolylimidazoles as antiviral compounds GILEAD PHARMASSET LLC (US) 2018-06-13 EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 US disclosed
EP-3239153-A1 9-(1H-IMIDAZOL-5-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HCV NS5A Gilead Pharmasset LLC (US) 2017-11-01 EP disclosed
EP-3239152-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2017-11-01 EP disclosed
US-9682989-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-20 US disclosed
US-8940718-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-01-27 US disclosed
US-8921341-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-12-30 US disclosed
US-20140316144-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2014-10-23 US disclosed
US-20140178336-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2014-06-26 US disclosed
US-20140112885-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-04-24 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-8575135-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130177530-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-07-11 US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 US 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 (8 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PHGDH 2018/4885DPP4 77/4885RECQL 558/4885
US-20130177530-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885RECQL 247/4885
US-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885RECQL 247/4885
US-20140112885-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885RECQL 247/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885RECQL 247/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885RECQL 247/4885
US-20140178336-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885RECQL 247/4885
US-20140316144-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 PHGDH 2273/4885DPP4 136/4885RECQL 247/4885

“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.