SCHEMBL8749504

SCHEMBL8749504

COC(=O)N[C@@H](C(=O)O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CTSA P10619 12/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ACP3 P15309 1/20 0.39

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
SCHEMBL2707682 1.00 ATM (0.42) ATMALDH1A1CTSACYP2D6CYP2C19
SCHEMBL206942 1.00 ATM (0.42) ATMALDH1A1CTSACYP2D6CYP2C19
SCHEMBL6120901 0.91 GRM1 (0.42) ATMALDH1A1CTSACYP2D6CYP2C19
SCHEMBL25238924 0.84 CTSS (0.50) ATM
SCHEMBL15270465 0.84 CTSS (0.50) ATM
SCHEMBL27159106 0.84 CTSS (0.50) ATM
SCHEMBL2707685 0.83 KMT2A (0.47) ATMALDH1A1
SCHEMBL205095 0.83 KMT2A (0.47) ATMALDH1A1
SCHEMBL205096 0.83 KMT2A (0.47) ATMALDH1A1
SCHEMBL16371412 0.83 ALDH1A1 (0.43) ALDH1A1CTSAESR1ACP3

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-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO 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 (4 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 ATM 4174/4885ALDH1A1 3957/4885CTSA 385/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ALDH1A1 3957/4885CTSA 385/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ALDH1A1 3957/4885CTSA 385/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ALDH1A1 3957/4885CTSA 385/4885

“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.