SCHEMBL5367238

SCHEMBL5367238

COC(=O)CCCCCNC(=O)COc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALPL P05186 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
LMNA P02545 1/20 0.57
PTPN1 P18031 1/20 0.56
HPGD P15428 3/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL5762931 0.87 ITGB3 (0.70) RECQLTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL5654598 0.87 ITGB3 (0.70) RECQLTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL14112030 0.84 RECQL (0.77) RECQLTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL10599988 0.84 RECQL (0.77) RECQLTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8184182 0.83 RECQL (0.70) RECQLTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8366672 0.82 RECQL (0.79) RECQLTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL5360419 0.82 SMN1; SMN2 (0.50) RECQLTSHRCYP2C9CYP2C19KMT2A
SCHEMBL7368813 0.82 RECQL (0.62) RECQLTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL5365254 0.82 HDAC8 (0.50) RECQLTSHRKMT2AMEN1LMNA
SCHEMBL15709145 0.81 HSD17B10 (0.68) TSHRKMT2ALMNAHPGDSMN1; SMN2

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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 RECQL 1110/4885TSHR 2081/4885CYP1A2 56/4885

“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.