SCHEMBL4671127

SCHEMBL4671127

Cc1ccc(Cc2coc(C(=O)C=C(O)C(=O)O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
ATM Q13315 1/20 0.37
CTBP2 P56545 1/20 0.35
RARA P10276 1/20 0.34
RXRA P19793 1/20 0.34
MAPT P10636 2/20 0.33
GPR52 Q9Y2T5 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL4671126 1.00 SRD5A2 (0.41) SRD5A2ATMCTBP2RARARXRA
SCHEMBL4675016 0.87 IDH1 (0.38) RARARXRAGPR52LMNA
SCHEMBL4675020 0.87 IDH1 (0.38) RARARXRAGPR52LMNA
SCHEMBL4671595 0.86 KMT2A (0.50) SRD5A2RARARXRAMAPTLMNA
SCHEMBL4671590 0.86 KMT2A (0.50) SRD5A2RARARXRAMAPTLMNA
SCHEMBL4672127 0.86 ALDH1A1 (0.39) RARARXRAMAPTLMNASMN1; SMN2
SCHEMBL4673710 0.86 CTBP2 (0.35) CTBP2RARARXRALMNAALDH1A1
SCHEMBL4672124 0.86 ALDH1A1 (0.39) RARARXRAMAPTLMNASMN1; SMN2
SCHEMBL4673707 0.86 CTBP2 (0.35) CTBP2RARARXRALMNAALDH1A1
SCHEMBL4674712 0.85 LTA4H (0.43) ATMCTBP2GPR52ALDH1A1SAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 SRD5A2 371/4885ATM 3662/4885CTBP2 3183/4885

“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.