SCHEMBL16400044

SCHEMBL16400044

COCC1COC(C)(CC=O)C(=O)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ELANE P08246 2/20 0.35
CTSG P08311 1/20 0.34
PRTN3 P24158 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL16400099 0.90 HSD11B1 (0.39) HSD11B1VEGFAEGLN1ELANECTSG
SCHEMBL16399441 0.87 ELANE (0.40) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL17691475 0.87 HSD11B1 (0.35) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL16401118 0.86 HSD11B1 (0.34) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL17685995 0.86 THRB (0.35) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL16399366 0.84 HSD11B1 (0.40) HSD11B1VEGFAEGLN1ELANECTSG
SCHEMBL16400119 0.82 ELANE (0.39) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL16400736 0.78 HSD11B1 (0.34) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL16400193 0.77 ELANE (0.40) HSD11B1ELANECTSGPRTN3ALDH1A1
SCHEMBL17685948 0.77 THRB (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 10 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES 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-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
EP-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
EP-3004095-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195244-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO 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 HSD11B1 1626/4885VEGFA 1077/4885EGLN1 234/4885
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES PLAT, TFPI, SERPINC1 HSD11B1 3512/4885VEGFA 2335/4885EGLN1 1596/4885

“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.