SCHEMBL12378088

SCHEMBL12378088

CC(C)[Si](Oc1c2c(c(N(CC3CC3)S(C)(=O)=O)c3cccnc13)C(O)N(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HKDC1 Q2TB90 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CXCR3 P49682 2/20 0.30
MC4R P32245 1/20 0.30
CYP3A4 P08684 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
SCHEMBL12378095 0.91 KDM4E (0.33) MAPK1KDM4EHKDC1ALDH1A1TSHR
SCHEMBL14573861 0.89 KDM4E (0.35) MAPK1KDM4EHKDC1ALDH1A1TP53
SCHEMBL12378089 0.86 CYP2C19 (0.35) MAPK1KDM4EHTR2AHTR2CHTR7
SCHEMBL14573860 0.85 KDM4E (0.35) MAPK1KDM4EHKDC1ALDH1A1TP53
SCHEMBL14573827 0.82 KDM4E (0.35) MAPK1KDM4EHKDC1ALDH1A1LMNA
SCHEMBL13943384 0.81 KDM4E (0.41) MAPK1KDM4EHKDC1ALDH1A1LMNA
SCHEMBL14270409 0.80 KDM4E (0.40) MAPK1KDM4EHKDC1ALDH1A1LMNA
SCHEMBL14294445 0.79 KDM4E (0.38) MAPK1KDM4EHKDC1ALDH1A1LMNA
SCHEMBL4690940 0.76 COMT (0.38) MAPK1KDM4EHKDC1ALDH1A1LMNA
SCHEMBL14270415 0.76 COMT (0.38) MAPK1KDM4EHKDC1ALDH1A1LMNA

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 MAPK1 3463/4885KDM4E 1971/4885HKDC1 3846/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI MAPK1 2887/4885KDM4E 960/4885HKDC1 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.