SCHEMBL4480319

SCHEMBL4480319

CN(C)C(=O)c1c2c(c(O)c(=O)n1-c1ccccc1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK8 P45983 5/20 0.34
AKR1B10 O60218 2/20 0.33
AKR1A1 P14550 2/20 0.33
FSCN1 Q16658 1/20 0.33
HDAC1 Q13547 1/20 0.33
CLPP Q16740 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GNRHR P30968 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL4480516 0.93 LMNA (0.35) AKR1B1HDAC1LMNASMN1; SMN2L3MBTL1
SCHEMBL4484250 0.93 PDK1 (0.34) AKR1B1MAPK8HDAC1
SCHEMBL4495051 0.92 MAPK14 (0.35) AKR1B1PTGDR2LMNASMN1; SMN2L3MBTL1
SCHEMBL4489427 0.91 AKR1B1 (0.33) AKR1B1MAPK8HDAC1
SCHEMBL4478632 0.91 DHPS (0.37) FSCN1HDAC1
SCHEMBL4484270 0.90 AKR1B1 (0.32) AKR1B1FSCN1
SCHEMBL4487534 0.90 AKR1B1 (0.32) AKR1B1FSCN1
SCHEMBL4486052 0.90 METAP2 (0.35) AKR1B1HDAC1
SCHEMBL4486606 0.90 METAP2 (0.36) AKR1B1
SCHEMBL4490025 0.90 MAPK8 (0.34) AKR1B1MAPK8

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 AKR1B1 2248/4885PTGDR2 4194/4885MAPK8 1433/4885

“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.