SCHEMBL6502934

SCHEMBL6502934

Cc1ccc(-c2c(C)cccc2C(=O)Nc2ccc(OCCc3cccc(NC(=O)OC(C)(C)C)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTTP P55157 11/20 0.40
SMO Q99835 9/20 0.40
APOB P04114 8/20 0.40
ITGB3 P05106 2/20 0.40
ITGB1 P05556 2/20 0.40
ITGAV P06756 2/20 0.40
ITGA5 P08648 2/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 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
SCHEMBL6492134 0.92 MTTP (0.50) MTTPSMOAPOB
SCHEMBL6787323 0.89 POLB (0.42) ITGB3ITGB1ITGAVITGA5CHRNB2
SCHEMBL6489654 0.87 APOB (0.40) MTTPAPOBITGB3ITGB1ITGAV
SCHEMBL6490619 0.87 ITGB3 (0.39) ITGB3ITGB1ITGAVITGA5CHRNB2
SCHEMBL6499215 0.84 ITGB1 (0.43) MTTPSMOAPOBITGB1ITGA5
SCHEMBL6646068 0.81 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5CHRNB2
SCHEMBL6492604 0.81 MTTP (0.42) MTTPSMOAPOBITGB3ITGB1
SCHEMBL6491507 0.81 MTTP (0.49) MTTPSMOAPOBCHRNB2CHRNB4
SCHEMBL6650060 0.81 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA5CHRNB2
SCHEMBL6789234 0.81 SMO (0.47) MTTPSMOAPOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 MTTP 677/4885SMO 2580/4885APOB 1/4885

“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.