SCHEMBL5457538

SCHEMBL5457538

COc1cc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP10 P09238 1/20 0.35
MMP13 P45452 1/20 0.35
TNIK Q9UKE5 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL5437421 0.90 AKR1B1 (0.36)
SCHEMBL5451480 0.88 CCR3 (0.37) MEN1KMT2A
SCHEMBL5440602 0.88 MAOB (0.41) GPR52MEN1KMT2A
SCHEMBL4479511 0.88 AKR1B1 (0.36) TNIK
SCHEMBL31060990 0.88 AKR1B1 (0.36) TNIK
SCHEMBL4488414 0.87 AKR1B1 (0.35)
SCHEMBL5438067 0.86 EGLN1 (0.36)
SCHEMBL5452423 0.86 P2RX7 (0.36) GPR52PTGDR2
SCHEMBL5438443 0.85 GAA (0.42) MMP13KMT2A
SCHEMBL13672777 0.85 AKR1B1 (0.41) MEN1KMT2A

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 3 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

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 MMP10 3198/4885MMP13 4428/4885TNIK 564/4885

“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.