SCHEMBL2709961

SCHEMBL2709961

CB(O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ AGTR2 P50052 7/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ BRD4 O60885 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19339683 0.78 AKR1C3 (0.46) AKR1C3AKR1C1AGTR2KEAP1NFE2L2
SCHEMBL350699 0.78 AKR1C3 (0.46) AKR1C3AKR1C1AGTR2KEAP1NFE2L2
SCHEMBL25396761 0.77 AKR1C3 (0.49) AKR1C3AKR1C1AGTR2GRIN2BALDH1A1
SCHEMBL6695511 0.76 AKR1C3 (0.47) AKR1C3AKR1C1AGTR2GRIN2BALDH1A1
SCHEMBL200856 0.76 AKR1C3 (0.47) AKR1C3AKR1C1AGTR2GRIN2BALDH1A1
SCHEMBL25363009 0.76 AKR1C3 (0.47) AKR1C3AKR1C1AGTR2GRIN2BALDH1A1
SCHEMBL17414368 0.75 BRD4 (0.33) AKR1C3AKR1C1MEN1KMT2AGRIN2B
SCHEMBL6185916 0.73 RIPK1 (0.54) AKR1C3AKR1C1AGTR2
SCHEMBL6185910 0.73 RIPK1 (0.54) AKR1C3AKR1C1AGTR2
SCHEMBL10469214 0.72 NPC1L1 (0.53) AKR1C3AKR1C1AGTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 — — US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 — — US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 — — US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 — — US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 — — US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 — — US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 — — US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C1 4077/4885AGTR2 3701/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C1 4077/4885AGTR2 3701/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C1 4077/4885AGTR2 3701/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C1 4077/4885AGTR2 3701/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C1 4077/4885AGTR2 3701/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C1 4077/4885AGTR2 3701/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C1 4077/4885AGTR2 3701/4885

“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.

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