SCHEMBL10141251

SCHEMBL10141251

CCOCCCCCOCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SPHK1 Q9NYA1 2/20 0.41
HTT P42858 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LPAR1 Q92633 7/20 0.35
LPAR3 Q9UBY5 7/20 0.35
LPAR5 Q9H1C0 4/20 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
SCHEMBL10119365 0.89 SPHK1 (0.44) USP2SPHK1HTTSPHK2PRKD3
SCHEMBL31086433 0.89 SPHK1 (0.44) USP2SPHK1HTTSPHK2PRKD3
SCHEMBL7149639 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10
SCHEMBL11858528 0.87 SPHK1 (0.42) USP2SPHK1HTTSPHK2PRKD3
SCHEMBL10151453 0.85 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL10151448 0.85 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL4489928 0.85 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL3794737 0.85 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL4483278 0.85 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG
SCHEMBL10151451 0.85 USP2 (0.57) USP2SPHK1HTTPRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730976-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2017-08-15 US disclosed
US-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BIONTECH AG (DE) 2016-11-03 US disclosed
US-9321808-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2016-04-26 US disclosed
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-04-30 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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 (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-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 USP2 1391/4885SPHK1 3428/4885HTT 1507/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 USP2 2741/4885SPHK1 2196/4885HTT 4444/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 USP2 2741/4885SPHK1 2196/4885HTT 4444/4885
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 USP2 1391/4885SPHK1 3428/4885HTT 1507/4885

“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.