SCHEMBL2708048

SCHEMBL2708048

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FOLH1 Q04609 7/20 0.39
PLA2G2C Q5R387 1/20 0.38
MEN1 O00255 1/20 0.38
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
RIMKLA Q8IXN7 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2707933 1.00 TGFBR1 (0.41) TGFBR1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL203913 1.00 TGFBR1 (0.41) TGFBR1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL19339463 0.90 TGFBR1 (0.39) TGFBR1FOLH1PLA2G2CRIMKLANAALAD2
SCHEMBL12661090 0.86 KMT2A (0.42) TGFBR1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL1143772 0.83 CTSK (0.49) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL12501632 0.83 CTSK (0.49) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL1143768 0.83 CTSK (0.49) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL7439465 0.81 KDM4E (0.52) TGFBR1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL2708777 0.81 TGFBR1 (0.43) TGFBR1KMT2AKDM4EFOLH1MEN1
SCHEMBL3787753 0.81 KDM4E (0.52) TGFBR1KMT2AKDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
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-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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-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-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-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
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 (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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TGFBR1 4682/4885KMT2A 3803/4885KDM4E 2496/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TGFBR1 4682/4885KMT2A 3803/4885KDM4E 2496/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TGFBR1 4682/4885KMT2A 3803/4885KDM4E 2496/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TGFBR1 4682/4885KMT2A 3803/4885KDM4E 2496/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TGFBR1 4682/4885KMT2A 3803/4885KDM4E 2496/4885

“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.