SCHEMBL16399366

SCHEMBL16399366

COCC1COC(C)(CCO)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
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CTSG P08311 1/20 0.34
PRTN3 P24158 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 1/20 0.34
P2RX7 Q99572 2/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL16400195 0.87 ELANE (0.40) HSD11B1ELANEALDH1A1HSD17B10MAPT
SCHEMBL16400657 0.87 HSD11B1 (0.35) HSD11B1ELANEALDH1A1HSD17B10MAPT
SCHEMBL16399520 0.86 ELANE (0.37) HSD11B1ELANEALDH1A1HSD17B10MAPT
SCHEMBL17685931 0.86 SMYD2 (0.36) HSD11B1ELANEALDH1A1HSD17B10MAPT
SCHEMBL16400044 0.84 HSD11B1 (0.40) HSD11B1VEGFAEGLN1ELANEALDH1A1
SCHEMBL16400099 0.83 HSD11B1 (0.39) HSD11B1VEGFAEGLN1ELANEALDH1A1
SCHEMBL16399764 0.82 BRD4 (0.41) HSD11B1ELANEALDH1A1HSD17B10MAPT
SCHEMBL18569737 0.82 BRD4 (0.41) HSD11B1ELANEALDH1A1HSD17B10MAPT
SCHEMBL16399906 0.78 ALDH1A1 (0.40) HSD11B1ELANEALDH1A1HSD17B10MAPT
SCHEMBL17685994 0.76 SMYD2 (0.44) HSD11B1ELANEALDH1A1HSD17B10MAPT

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-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-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-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed
WO-2014195244-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES 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.