Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538548

SCHEMBL3538548

SCHEMBL3538548

COc1ccc(Sc2ccc(F)cc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.41
▸ STS P08842 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ CTSE P14091 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MET P08581 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38

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
SCHEMBL3614062 0.93 ALDH1A1 (0.42) ALDH1A1GPR119STSHTTCTSD
SCHEMBL3546005 0.93 HDAC2 (0.43) ALDH1A1GPR119HDAC1HDAC2KDM1A
SCHEMBL3544034 0.90 GPR119 (0.41) ALDH1A1GPR119HDAC1HDAC2KDM1A
SCHEMBL3541593 0.90 PTPN11 (0.41) ALDH1A1HDAC1HDAC2LMNASLC6A9
SCHEMBL3547847 0.89 GPR119 (0.40) ALDH1A1GPR119STSHTTHDAC1
SCHEMBL3549171 0.89 ALDH1A1 (0.40) ALDH1A1GPR119STSHTTCTSD
SCHEMBL3548088 0.89 MEN1 (0.43) STSHDAC1HDAC2MAPT
SCHEMBL3547010 0.89 HTR1A (0.46) ALDH1A1GPR119STSHTTCTSD
SCHEMBL3544111 0.89 MEN1 (0.42) GPR119HDAC1HDAC2SMN1; SMN2
SCHEMBL3539669 0.88 HTR1A (0.39) ALDH1A1GPR119STSHTTHDAC1

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
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 — — US disclosed
EP-1626720-B1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-09-03 — — EP disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 — — US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 — — EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 — — 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 ALDH1A1 167/4885GPR119 1617/4885STS 2217/4885

“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.