SCHEMBL9977456

SCHEMBL9977456

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nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.53
TYR P14679 1/20 0.47
FPR2 P25090 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
ENPEP Q07075 2/20 0.42
MAPK1 P28482 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL6469 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL17772168 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL525493 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL1806573 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL15585678 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL204043 1.00 ALDH1A1 (0.61) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL18829403 0.89 ALDH1A1 (0.49) ALDH1A1L3MBTL1TYRFPR2KMT2A
Pyridine SCHEMBL27388694 0.87 ALDH1A1 (0.49) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL16927642 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1TYRFPR2KMT2A
SCHEMBL8607996 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1TYRFPR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200071337-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 US disclosed
US-20180186806-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2018-07-05 US disclosed
US-20180186806-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2018-07-05 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
US-9682989-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-20 US disclosed
US-20170145027-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-05-25 US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (5 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-20170145027-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ALDH1A1 3925/4885L3MBTL1 2058/4885TYR 4183/4885
US-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ALDH1A1 3925/4885L3MBTL1 2058/4885TYR 4183/4885
US-20180186806-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ALDH1A1 3925/4885L3MBTL1 2058/4885TYR 4183/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885L3MBTL1 2200/4885TYR 4489/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ALDH1A1 3925/4885L3MBTL1 2058/4885TYR 4183/4885

“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.