SCHEMBL4935898

SCHEMBL4935898

O=C(C1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)N1CCC(c2ccc(=O)[nH]n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
F10 P00742 9/20 0.45
CNR1 P21554 1/20 0.43
KLK1 P06870 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4942713 0.85 NPSR1 (0.47) NPSR1HTTKMT2AF10CNR1
SCHEMBL4938153 0.85 SMO (0.49) AKR1B1NPSR1HTTKMT2AF10
SCHEMBL4938904 0.76 F10 (0.55) KMT2AF10KLK1ALDH1A1LMNA
SCHEMBL4938175 0.75 USP2 (0.49) NPSR1HTTKMT2AF10CNR1
SCHEMBL4941913 0.74 F10 (0.50) NPSR1HTTKMT2AF10CNR1
SCHEMBL4900354 0.74 F10 (0.65) AKR1B1F10KLK1
SCHEMBL4936118 0.73 F10 (0.49) NPSR1HTTKMT2AF10CNR1
SCHEMBL5334159 0.71 F10 (0.47) NPSR1HTTKMT2AF10CNR1
SCHEMBL6729440 0.69 F10 (0.51) F10CNR1KLK1
SCHEMBL6730597 0.68 F10 (0.55) F10KLK1

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-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 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-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 AKR1B1 2558/4885NPSR1 122/4885HTT 1248/4885

“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.