SCHEMBL17685995

SCHEMBL17685995

CC1(CC=O)OCC(CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TOP2A P11388 1/20 0.34
HSD11B1 P28845 1/20 0.34
SMYD2 Q9NRG4 2/20 0.33
ELANE P08246 2/20 0.32
CTSG P08311 1/20 0.31
PRTN3 P24158 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DUT P33316 1/20 0.31
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
AR P10275 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
SCHEMBL17685948 0.91 THRB (0.35) THRBTOP2AHSD11B1SMYD2ELANE
SCHEMBL17685931 0.86 SMYD2 (0.36) THRBTOP2AHSD11B1SMYD2ELANE
SCHEMBL17685940 0.86 THRB (0.38) THRBTOP2AHSD11B1SMYD2ELANE
SCHEMBL16400044 0.86 HSD11B1 (0.40) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL16401118 0.85 HSD11B1 (0.34) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL17685975 0.85 THRB (0.38) THRBTOP2AHSD11B1SMYD2ELANE
SCHEMBL17685981 0.84 ALDH1A1 (0.35) THRBTOP2AHSD11B1SMYD2ALDH1A1
SCHEMBL17685988 0.83 SMYD2 (0.45) THRBTOP2AHSD11B1SMYD2ALDH1A1
SCHEMBL16399441 0.82 ELANE (0.40) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL17691475 0.82 HSD11B1 (0.35) HSD11B1ELANECTSGPRTN3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 THRB 4146/4885TOP2A 1345/4885HSD11B1 1626/4885
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES PLAT, TFPI, SERPINC1 THRB 742/4885TOP2A 2413/4885HSD11B1 3512/4885

“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.