SCHEMBL12378095

SCHEMBL12378095

CC(C)[Si](Oc1c2c(c(N(CCN(C)C)S(C)(=O)=O)c3cccnc13)C(O)N(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HTR6 P50406 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
MAPK1 P28482 1/20 0.32
TACR1 P25103 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.30
KAT2B Q92831 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
SCHEMBL14573861 0.91 KDM4E (0.35) KDM4EHKDC1MAPK1TACR1ALDH1A1
SCHEMBL12378088 0.91 MAPK1 (0.32) KDM4EHKDC1MAPK1ALDH1A1CYP3A4
SCHEMBL14573860 0.86 KDM4E (0.35) KDM4EHKDC1MAPK1TACR1ALDH1A1
SCHEMBL12378094 0.85 CYP2C19 (0.37) KDM4EHTR6MAPK1TACR1ALDH1A1
SCHEMBL14573827 0.83 KDM4E (0.35) KDM4EHKDC1MAPK1TACR1ALDH1A1
SCHEMBL13943384 0.83 KDM4E (0.41) KDM4EHKDC1MAPK1TACR1ALDH1A1
SCHEMBL14270409 0.81 KDM4E (0.40) KDM4EHKDC1MAPK1TACR1ALDH1A1
SCHEMBL14294445 0.81 KDM4E (0.38) KDM4EHTR6HKDC1MAPK1TACR1
SCHEMBL4690940 0.77 COMT (0.38) KDM4EHKDC1MAPK1TACR1ALDH1A1
SCHEMBL14270415 0.77 COMT (0.38) KDM4EHKDC1MAPK1TACR1ALDH1A1

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 KDM4E 1971/4885HTR6 3270/4885HKDC1 3846/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KDM4E 960/4885HTR6 3850/4885HKDC1 3859/4885

“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.