SCHEMBL14701490

SCHEMBL14701490

Cn1nccc(CS(=O)(=O)C(F)(F)F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTOR P42345 1/20 0.33
PTGS2 P35354 1/20 0.30
SCD O00767 1/20 0.30
DRD3 P35462 4/20 0.30
DRD2 P14416 3/20 0.30
HTR1D P28221 3/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL14943589 0.74 CYP1A2 (0.35)
SCHEMBL14942558 0.71 KMT2A (0.32) RAB9AALDH1A1MAPTNPSR1MTOR
SCHEMBL2895873 0.71 BPTF (0.43) RAB9AALDH1A1MAPTNPSR1MTOR
SCHEMBL10313342 0.69 ESR2 (0.38) OXTRAVPR1ARAB9ASCDDRD3
SCHEMBL14576445 0.66 P2RX7 (0.37) ALDH1A1PTGS2DRD3DRD2HTR1D
SCHEMBL2892066 0.62 KMT2A (0.47) ALDH1A1MAPT
SCHEMBL31180618 0.62 OXTR (0.38) OXTRAVPR1ARAB9AALDH1A1MAPT
SCHEMBL8340628 0.62
SCHEMBL782655 0.61 ALDH1A1 (0.36) OXTRAVPR1ARAB9AALDH1A1MAPT
SCHEMBL8144794 0.60 RAB9A (0.42) OXTRAVPR1ARAB9AALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 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-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PRMT1, NNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 OXTR 174/4885AVPR1A 306/4885RAB9A 2221/4885

“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.