SCHEMBL2222607

SCHEMBL2222607

CCCCNC(=O)C[C@H]1C[C@@H](C=Cc2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)OC(C)(C)O1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 12/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ PDE6D O43924 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ ABCC3 O15438 1/20 0.46
▸ ABCC4 O15439 1/20 0.46

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
SCHEMBL2222602 1.00 HMGCR (0.49) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL13456278 0.92 HMGCR (0.45) HMGCRHDAC1HDAC2HDAC6
SCHEMBL14243567 0.91 HMGCR (0.45) HMGCRHDAC1HDAC2HDAC6
SCHEMBL4079327 0.88 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL11295264 0.88 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL1021915 0.88 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL1022804 0.88 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL14340395 0.88 HMGCR (0.54) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL4079332 0.88 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL1021914 0.88 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526099-B1 IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF MSN LAB LTD (IN) 2016-03-30 — — EP claimed
US-20120323005-A1 Process For The Preparation Of Amide Intermediates And Their Use Thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2012-12-20 — — US claimed
EP-2526099-B1 IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF MSN LAB LTD (IN) 2016-03-30 — — EP disclosed
US-8987444-B2 Process for the preparation of amide intermediates and their use thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-03-24 — — US disclosed
US-20120323005-A1 Process For The Preparation Of Amide Intermediates And Their Use Thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2012-12-20 — — US disclosed
WO-2011086584-A2 IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF MSN LABORATORIES LIMITED (IN) 2011-07-21 — — 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-20120323005-A1 Process For The Preparation Of Amide Intermediates And Their Use Thereof CETP, LCAT, APOB HMGCR 4/4885HDAC1 473/4885HDAC2 549/4885

“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.

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