SCHEMBL2705922

SCHEMBL2705922

CC(C)(C)c1ccc2cc(-c3ccc4cc(C(C)(C)C)sc4c3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
DHPS P49366 1/20 0.32
CASR P41180 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 4/20 0.31
ESR2 Q92731 4/20 0.31
MITF O75030 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL1754103 0.86 DHPS (0.39) TNFNOD1DHPSCASRNPC1
SCHEMBL10132023 0.81 ALDH1A1 (0.39) TNFNOD1NPC1RAB9AALDH1A1
SCHEMBL2756695 0.80 ESR1 (0.35) TNFNOD1DHPSCASRESR1
SCHEMBL17676139 0.80 PIK3CA (0.42) TNFNOD1ESR1ESR2HDAC1
SCHEMBL31442334 0.80 NR1I2 (0.41) TNFNOD1CASRNPC1RAB9A
SCHEMBL22330409 0.75 EPHX2 (0.44) KMT2AKIF11
SCHEMBL14138084 0.72 NPC1 (0.38) DHPSNPC1RAB9AALDH1A1ESR1
SCHEMBL17342289 0.72 HDAC3 (0.50) NPC1RAB9AKDM4ETDP1ESR1
SCHEMBL30010382 0.72 ALDH1A1 (0.52) NPC1RAB9AALDH1A1HPGDALOX15
SCHEMBL348347 0.72 ALDH1A1 (0.52) NPC1RAB9AALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US 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-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-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 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-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 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 (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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TNF 776/4885NOD1 1067/4885DHPS 553/4885

“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.