SCHEMBL3557518

SCHEMBL3557518

CCN(C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)S(=O)(=O)c1ccc(C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
TP53 P04637 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
NAMPT P43490 1/20 0.37
QPCT Q16769 1/20 0.37
DRD2 P14416 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
SCHEMBL3559686 0.95 TSHR (0.43) TSHRMCOLN3TP53HCRTR1HCRTR2
SCHEMBL3560708 0.91 TP53 (0.42) TP53HCRTR1HCRTR2MAPK1LMNA
SCHEMBL301780 0.91 TP53 (0.46) TSHRMCOLN3TP53MAPK1LMNA
SCHEMBL3556545 0.91 TP53 (0.42) TP53HCRTR1HCRTR2MAPK1LMNA
SCHEMBL3556277 0.88 TSHR (0.45) TSHRMCOLN3TP53MAPK1LMNA
SCHEMBL3556390 0.87 TSHR (0.44) TSHRMCOLN3TP53MAPK1LMNA
SCHEMBL3560037 0.86 SMN1; SMN2 (0.46) TSHRTP53MAPK1LMNAMAPT
SCHEMBL3561750 0.86 NAMPT (0.49) TSHRTP53MAPK1ALOX15MEN1
SCHEMBL3560963 0.84 NAMPT (0.46) TSHRTP53MAPK1LMNAMAPT
SCHEMBL3556658 0.84 KMT2A (0.44) TP53MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 TSHR 1285/4885MCOLN3 1519/4885TP53 4821/4885

“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.