SCHEMBL4494016

SCHEMBL4494016

CC(C)(C)OC(=O)OOC=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ELANE P08246 1/20 0.34
CTSK P43235 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
DGAT1 O75907 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL223013 0.79 DGAT1 (0.42) TDP1ELANEHDAC6DGAT1HDAC1
SCHEMBL4494018 0.75 TDP1 (0.39) TDP1ELANECTSKHDAC6DGAT1
SCHEMBL22129786 0.74 ELANE (0.39) TDP1ELANEHDAC6DGAT1HDAC1
SCHEMBL29121 0.73 DGAT1 (0.46) TDP1ELANEHDAC6DGAT1HDAC1
SCHEMBL17727759 0.72 HDAC6 (0.38) ELANEHDAC6DGAT1HDAC1HDAC2
SCHEMBL1333110 0.72 TSHR (0.40) TDP1ELANEHDAC6DGAT1HDAC1
SCHEMBL538708 0.70 ELANE (0.36) TDP1ELANEHDAC6DGAT1HDAC1
Hydrogen Peroxide SCHEMBL26665096 0.70 ELANE (0.36) TDP1ELANEHDAC6DGAT1HDAC1
Ammonia Solution, Strong SCHEMBL9998492 0.70 DGAT1 (0.43) TDP1ELANECTSKHDAC6DGAT1
Methyl Alcohol SCHEMBL28820308 0.70 DGAT1 (0.43) TDP1ELANECTSKHDAC6DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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 (2 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 TDP1 1431/4885ELANE 1309/4885CTSK 3204/4885
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR GTF3C4, BRD4, CUL4B TDP1 3373/4885ELANE 2894/4885CTSK 2987/4885

“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.