SCHEMBL5679996

SCHEMBL5679996

CC(=O)SC1(CC(=O)O)C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL5677606 0.77 ALDH1A1 (0.48) ALDH1A1
SCHEMBL5148657 0.75 HSD11B1 (0.46) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL5680329 0.70 HSD11B1 (0.36) HSD11B1MEN1KMT2A
SCHEMBL18135490 0.69 HSD11B1 (0.55) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL24380154 0.68 HSD11B1 (0.46) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL2960096 0.67 HSD11B1 (0.53) HSD11B1MEN1KMT2APOLB
SCHEMBL16566362 0.67 HSD11B1 (0.49) HSD11B1MEN1KMT2APOLB
SCHEMBL14459065 0.64 HSD11B1 (0.56) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL7865257 0.64 HSD11B1 (0.56) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL15483369 0.64 HSD11B1 (0.41) HSD11B1MEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP disclosed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP disclosed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 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 (1 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-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NOS1, NOS2, NOS3 HSD11B1 1196/4885MEN1 3465/4885KMT2A 4693/4885

“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.