SCHEMBL290866

SCHEMBL290866

[CH2]CSCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
THRB P10828 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
BLM P54132 1/20 0.48
CA2 P00918 1/20 0.46
TSHR P16473 3/20 0.44
FAAH O00519 4/20 0.42
CES1 P23141 4/20 0.42
PLA2G6 O60733 1/20 0.42
PRKD3 O94806 2/20 0.38
PRKCG P05129 2/20 0.38
PRKCB P05771 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCH P24723 2/20 0.38
PRKCI P41743 2/20 0.38

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
SCHEMBL8377211 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL291759 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL292460 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL8378825 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL204425 1.00
SCHEMBL201667 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL8379916 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL8374782 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL292062 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53
SCHEMBL6063461 1.00 CES2 (0.48) CES2THRBHSD17B10GMNNTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-2033952-B1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity SHIONOGI & CO (JP) 2012-08-29 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
EP-2321319-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2011-05-18 EP disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2004-07-01 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed
EP-1375486-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
US-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CES2 1431/4885THRB 3764/4885HSD17B10 1428/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT CES2 1274/4885THRB 3003/4885HSD17B10 837/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CES2 1872/4885THRB 3798/4885HSD17B10 1765/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CES2 1872/4885THRB 3798/4885HSD17B10 1765/4885

“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.