SCHEMBL3568137

SCHEMBL3568137

COc1cccc(S(=O)(=O)N(C)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
CCR3 P51677 3/20 0.46
MAPT P10636 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 2/20 0.43
HTR2C P28335 2/20 0.43
NPY1R P25929 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL3558961 0.92 HTR2A (0.46) HTR2ACCR3LMNANPY1RALOX15
SCHEMBL3561511 0.91 HTR2A (0.46) HTR2ACCR3LMNANPY1RALOX15
SCHEMBL3562435 0.91 L3MBTL1 (0.53) HTR2AMITFLMNAHTR2CL3MBTL1
SCHEMBL3564913 0.90 HTR2A (0.55) HTR2ACCR3LMNAHTR2CL3MBTL1
SCHEMBL3565549 0.89 HTR2A (0.49) HTR2AMAPTHTR2CL3MBTL1POLB
SCHEMBL3564316 0.88 HTR2A (0.55) HTR2AMAPTMITFLMNAHTR2C
SCHEMBL3564358 0.88 HTR2A (0.55) HTR2ACCR3LMNAHTR2CL3MBTL1
SCHEMBL3555655 0.88 L3MBTL1 (0.45) MAPTLMNAALOX15L3MBTL1ALDH1A1
SCHEMBL3568131 0.87 CACNA1B (0.49) HTR2ACCR3MAPTLMNAHTR2C
SCHEMBL3937977 0.86 TP53 (0.42) HTR2ACCR3MITFLMNAALDH1A1

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 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
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP 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 HTR2A 119/4885CCR3 2602/4885MAPT 1151/4885

“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.