Sugi Predict

Sugi Predict / Compounds / SCHEMBL4290419

SCHEMBL4290419

SCHEMBL4290419

CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 7/20 0.52
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ OTUD7B Q6GQQ9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ MET P08581 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ CCR3 P51677 1/20 0.43

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
SCHEMBL14964355 0.97 S1PR2 (0.50) S1PR2HDAC2HDAC1OTUD7BCYP1A2
SCHEMBL1446881 0.87 S1PR2 (0.56) S1PR2OTUD7BCYP1A2ALDH1A1USP2
SCHEMBL1447574 0.82 LIMK2 (0.55) EPHX2
SCHEMBL4866877 0.82 PTPN2 (0.59) S1PR2ALDH1A1
SCHEMBL20137661 0.81 TSHR (0.52) CYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL1446944 0.79 S1PR2 (0.48) S1PR2OTUD7BCYP2D6CYP2C19ALDH1A1
SCHEMBL1446961 0.79 CA1 (0.50) ALDH1A1
SCHEMBL31058161 0.79 ANO1 (0.53) S1PR2EPHX2
SCHEMBL31058254 0.78 PARP14 (0.49) EPHX2
SCHEMBL20137885 0.78 TSHR (0.44) HDAC2HDAC1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297153-B1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2015-05-27 — — EP disclosed
EP-2674433-A1 LIMK2 inhibitors, compositions comprising them and methods of their use Lexicon Pharmaceuticals, Inc. (US) 2013-12-18 — — EP disclosed
US-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-12-27 — — US disclosed
US-8193202-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2012-06-05 — — US disclosed
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-10-22 — — 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 (2 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-20120329818-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 S1PR2 2804/4885HDAC2 818/4885HDAC1 1037/4885
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 S1PR2 2804/4885HDAC2 818/4885HDAC1 1037/4885

“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.