SCHEMBL17615014

SCHEMBL17615014

O=C(c1ccc(Cl)c([SH](=O)=O)c1)N1CCC(F)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
HPGD P15428 3/20 0.50
PKM P14618 1/20 0.50
MGLL Q99685 7/20 0.48
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LRRK2 Q5S007 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL17615024 0.90 HPGD (0.49) HSD11B1HPGDPKMMGLLTSHR
SCHEMBL17615050 0.89 HPGD (0.50) HSD11B1HPGDPKMMGLLTSHR
SCHEMBL17615094 0.85 HPGD (0.69) HSD11B1HPGDPKMTSHRMAPT
SCHEMBL17615087 0.85 HPGD (0.64) HSD11B1HPGDPKMMAPT
SCHEMBL17615025 0.84 PKM (0.71) HPGDPKMNPSR1MAPT
SCHEMBL17615037 0.84 HPGD (0.50) HSD11B1HPGDPKMMGLLTSHR
SCHEMBL17615012 0.84 HPGD (0.67) HSD11B1HPGDPKMTSHRMAPT
SCHEMBL6279698 0.84 HPGD (0.71) HSD11B1HPGDPKMMGLLTSHR
SCHEMBL17615020 0.83 HPGD (0.45) HSD11B1HPGDPKMMGLLTSHR
SCHEMBL17615022 0.82 HPGD (0.49) HSD11B1HPGDPKMLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 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 (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-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION NOS2, NOS3, NOS1 HSD11B1 91/4885HPGD 17/4885PKM 800/4885

“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.