SCHEMBL12378464

SCHEMBL12378464

CC(C)[Si](Oc1c2c(c(CCC(=O)O)c3cc(Cc4ccc(F)cc4)cnc13)CN(C)C2=O)(C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.33
LTA4H P09960 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TNIK Q9UKE5 1/20 0.30
RCE1 Q9Y256 1/20 0.30
PTGER4 P35408 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
SCHEMBL12378436 0.93 PTGER4 (0.34) LMNAPTGER4
SCHEMBL12378466 0.92 GRIN2B (0.31)
SCHEMBL12378462 0.91 KDM4E (0.36) MEN1MAPTKMT2ASMN1; SMN2HSD17B10
SCHEMBL12378444 0.90 GRM2 (0.31)
SCHEMBL13624081 0.90
SCHEMBL13624083 0.88 CSNK1D (0.30)
SCHEMBL13624049 0.88 GAA (0.33)
SCHEMBL12378449 0.87 MCHR1 (0.30)
SCHEMBL13624029 0.87 PTGER4 (0.30) PTGER4
SCHEMBL13624097 0.86

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-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 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 (2 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS TBXAS1 667/4885LTA4H 2732/4885MEN1 4674/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI TBXAS1 752/4885LTA4H 3031/4885MEN1 4614/4885

“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.