SCHEMBL2290818

SCHEMBL2290818

CNCc1ccc(F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
HTR2A P28223 9/20 0.45
SLC6A4 P31645 9/20 0.45
KCNH2 Q12809 7/20 0.41
PARP1 P09874 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
DCLRE1B Q9H816 1/20 0.38
MPO P05164 1/20 0.38
PPARA Q07869 1/20 0.38
STING1 Q86WV6 1/20 0.38

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
SCHEMBL2292805 0.85 GAA (0.43) HTR2ASLC6A4KCNH2PARP1SLC6A2
SCHEMBL8576783 0.82 KEAP1 (0.55) KEAP1CES2CES1KMT2ADCLRE1B
SCHEMBL27360370 0.81 KDM4E (0.47) SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL4146826 0.78 KEAP1 (0.55) KEAP1CES2CES1CYP1A2CYP2C19
SCHEMBL11777759 0.77 KEAP1 (0.50) KEAP1CES2CES1KMT2ADCLRE1B
SCHEMBL150440 0.77 KEAP1 (0.53) KEAP1CES2CES1CYP1A2CYP2C19
SCHEMBL1021069 0.77 KEAP1 (0.53) KEAP1CES2CES1KMT2ADCLRE1B
SCHEMBL13806627 0.77 KEAP1 (0.53) KEAP1CES2CES1CYP1A2CYP2C19
SCHEMBL1654700 0.76 KDM4A (0.42) KEAP1
Hydrochloric Acid SCHEMBL7258062 0.76 HPGD (0.55) KMT2A

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 10 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 claimed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US claimed
EP-2066670-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-10 EP claimed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US claimed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO claimed
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
EP-2066670-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-10 EP disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO 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 KEAP1 4299/4885HTR2A 3790/4885SLC6A4 3573/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KEAP1 4110/4885HTR2A 4284/4885SLC6A4 4119/4885

“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.