SCHEMBL4499639

SCHEMBL4499639

CN(C)C(=O)c1c2c(c(O)c(=O)n1-c1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
AKR1B1 P15121 1/20 0.31
DGAT1 O75907 1/20 0.31
NPY5R Q15761 1/20 0.31
SLC2A2 P11168 1/20 0.30

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
SCHEMBL4490025 0.92 MAPK8 (0.34) ALDH1A1MAPTKMT2AAKR1B1NPY5R
SCHEMBL4484250 0.90 PDK1 (0.34) AKR1B1
SCHEMBL4480516 0.90 LMNA (0.35) ALDH1A1MAPTKMT2ALMNAAKR1B1
SCHEMBL4486280 0.90 METAP2 (0.35) ALDH1A1MAPTNPY5R
SCHEMBL4500232 0.89 CA2 (0.34) KMT2AAKR1B1
SCHEMBL4484270 0.89 AKR1B1 (0.32) MAPTAKR1B1
SCHEMBL4487534 0.89 AKR1B1 (0.32) AKR1B1
SCHEMBL4480319 0.89 AKR1B1 (0.35) LMNAAKR1B1
SCHEMBL4489427 0.88 AKR1B1 (0.33) MAPTAKR1B1
SCHEMBL4477683 0.88 MAPK8 (0.33) AKR1B1NPY5R

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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H ALDH1A1 1500/4885MAPT 2916/4885KMT2A 1470/4885

“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.