SCHEMBL6370496

SCHEMBL6370496

NC(=O)C1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.61
AKR1C1 Q04828 1/20 0.61
F10 P00742 5/20 0.53
F2 P00734 1/20 0.52
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EIF2AK3 Q9NZJ5 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL6196742 0.82 AKR1C3 (0.50) AKR1C3AKR1C1F10F2ALDH1A1
SCHEMBL25269754 0.81 AKR1C3 (0.80) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL6370497 0.80 AKR1C3 (0.48) AKR1C3AKR1C1F10F2ALDH1A1
SCHEMBL28983197 0.80 AKR1C3 (0.70) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL24025380 0.77 CHRM1 (0.56) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL24025633 0.77 CHRM1 (0.56) AKR1C3AKR1C1ALDH1A1NPSR1MAPT
SCHEMBL7303194 0.76 AKR1C3 (1.00) AKR1C3AKR1C1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL5737608 0.76 F10 (0.67) F10NPSR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5735795 0.75 F10 (0.66) F10NPSR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5735799 0.75 F10 (0.66) F10NPSR1MEN1KMT2ALMNA

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-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 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-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 AKR1C3 3831/4885AKR1C1 3642/4885F10 24/4885

“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.