SCHEMBL6186627

SCHEMBL6186627

[CH2][C@@H]1CCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HTR7 P34969 4/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
ALOX15 P16050 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL6186634 0.83 ALOX15 (0.53) CYP3A4CYP2C9TSHRCYP2C19KMT2A
SCHEMBL6184028 0.78 HCRTR1 (0.51) TSHRALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL3863367 0.70 TP53 (0.38) TSHRALDH1A1HCRTR2ACHE
SCHEMBL27529416 0.69 LMNA (0.58) CYP3A4TSHRALDH1A1HCRTR1HCRTR2
SCHEMBL27813710 0.68 PSEN1 (0.52) TSHRALDH1A1KMT2AMCOLN3L3MBTL1
SCHEMBL8106699 0.67 LOX (0.47) CYP2C9ALDH1A1DRD2L3MBTL1HSD11B1
SCHEMBL27672554 0.67 CYP3A4 (0.45) CYP3A4CYP2C9TSHRCYP2C19KMT2A
SCHEMBL10067926 0.67 CHRM4 (0.56) KMT2AHTR2AHTR2CALOX15HSD11B1
SCHEMBL3216591 0.67 ALOX15 (0.52) ALDH1A1KMT2AALOX15ACHE
SCHEMBL3216585 0.67 ALOX15 (0.52) ALDH1A1KMT2AALOX15ACHE

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 CYP3A4 1986/4885CYP2C9 165/4885TSHR 478/4885

“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.