SCHEMBL6184028

SCHEMBL6184028

[CH2][C@@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
TRPA1 O75762 1/20 0.47
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
EPHX2 P34913 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL27529416 0.83 LMNA (0.58) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL27813710 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16480428 0.82 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL6184031 0.82 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL9891875 0.78 HCRTR1 (0.49) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL2706426 0.78 ALDH1A1 (0.68) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL9893151 0.78 PSEN1 (0.70) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL6367466 0.78 HCRTR1 (0.49) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL2706429 0.78 ALDH1A1 (0.68) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL6186627 0.78 CYP3A4 (0.41) HCRTR1HCRTR2ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed

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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 HCRTR1 4419/4885HCRTR2 4475/4885PSEN1 1467/4885

“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.