SCHEMBL2707182

SCHEMBL2707182

CC(C)c1ccc2c(c1)C(C)(C)c1ccc(C(C)C)cc1S2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
KARS1 Q15046 2/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
RXRG P48443 1/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 2/20 0.32
PDK2 Q15119 2/20 0.31
RNASEH1 O60930 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 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
SCHEMBL9980159 0.91 HTR2A (0.32) HPGDGFERHSD17B10KARS1RXRA
SCHEMBL4732090 0.90 AGBL2 (0.34) HPGDGFERHSD17B10ALDH1A1KARS1
SCHEMBL18462631 0.87 AKR1C3 (0.33) HPGDKARS1CYP3A4PDK2MEN1
SCHEMBL17694641 0.71 LMNA (0.48) HPGDGFERHSD17B10ALDH1A1GAA
SCHEMBL13084741 0.71 LMNA (0.48) HPGDALDH1A1GAAALOX12HTT
SCHEMBL12676846 0.70 MAOA (0.42) HPGDGFERHSD17B10ALDH1A1GAA
SCHEMBL12147443 0.69 TYR (0.38) HPGDGFERHSD17B10ALDH1A1GAA
SCHEMBL12533044 0.69 HPGD (0.38) HPGDGFERHSD17B10KARS1RXRA
SCHEMBL2705519 0.69 KMT2A (0.45) HPGDGFERHSD17B10ALDH1A1GAA
SCHEMBL13384242 0.69 HPGD (0.38) HPGDGFERHSD17B10KARS1RXRA

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 18 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
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP 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-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 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGD 3745/4885GFER 4808/4885HSD17B10 3314/4885

“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.