SCHEMBL3565382

SCHEMBL3565382

Cc1ccccc1S(=O)(=O)O.O=C(O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
AKR1C1 Q04828 1/20 0.46
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 4/20 0.43
HDAC1 Q13547 1/20 0.40
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.38
P2RX7 Q99572 1/20 0.38
CYP26A1 O43174 1/20 0.37
TACR1 P25103 1/20 0.37
TET3 O43151 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
TET1 Q8NFU7 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CXXC4 Q9H2H0 1/20 0.37
KDM2A Q9Y2K7 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
SCHEMBL378736 0.82 CYP2C19 (0.63) OPRM1AKR1C1CYP2C19KMT2AHDAC1
SCHEMBL373567 0.81 AKR1C1 (0.68) OPRM1AKR1C1CYP2C19KMT2AHDAC1
Aziridine SCHEMBL17181099 0.81 MYC (0.46) KMT2AMEN1
Hydrochloric Acid SCHEMBL2552731 0.80 AKR1C1 (0.66) OPRM1AKR1C1KMT2AHDAC1TACR1
Hydrochloric Acid SCHEMBL18281540 0.80 AKR1C1 (0.66) OPRM1AKR1C1KMT2AHDAC1TACR1
Ammonia Solution, Strong SCHEMBL3210975 0.80 AKR1C1 (0.66) OPRM1AKR1C1CYP2C19KMT2AHDAC1
Piperidine SCHEMBL6669243 0.75 MYC (0.41) CYP2C19KMT2AMEN1
SCHEMBL4947466 0.75 OPRM1 (0.52) OPRM1AKR1C1CYP2C19KMT2AHDAC1
Benzene SCHEMBL8718895 0.74 MYC (0.52) CYP2C19KMT2AMEN1
SCHEMBL6498800 0.74 OPRM1 (0.53) OPRM1AKR1C1CYP2C19KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 OPRM1 160/4885AKR1C1 1944/4885CYP2C19 595/4885

“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.