SCHEMBL399304

SCHEMBL399304

CC(=O)O[C@H](C)CCCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 5/20 0.36
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CTSK P43235 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 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
SCHEMBL3402855 1.00 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18339136 0.80 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10137828 0.80 CA1 (0.38) TSHRBLMLMNACTSKEPHX2
SCHEMBL396125 0.78 CYP2D6 (0.40) TSHRMAPTLMNACTSKEPHX2
SCHEMBL12926136 0.78 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL397490 0.78 CYP2D6 (0.40) TSHRMAPTLMNACTSKEPHX2
SCHEMBL396124 0.78 CYP2D6 (0.40) TSHRMAPTLMNACTSKEPHX2
SCHEMBL27929482 0.78 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11923472 0.78 EPHX2 (0.33) CTSKEPHX2CYP2D6CA1CA2
SCHEMBL28091127 0.77 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R

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-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
EP-2274279-A1 NITRIC OXIDE DONATING PROSTAMIDES Nicox S.A. (FR) 2011-01-19 EP disclosed
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-12-09 US disclosed
EP-2250158-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 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-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, AGT TSHR 208/4885CHRM2 854/4885CHRM4 960/4885
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 TSHR 3475/4885CHRM2 2694/4885CHRM4 3324/4885

“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.