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SCHEMBL4650953

SCHEMBL4650953

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CASP3 P42574 1/20 0.35
▸ KAT2B Q92831 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL4914381 0.93 CYP2C19 (0.39) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL12378094 0.90 CYP2C19 (0.37) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL14270411 0.88 CYP2C19 (0.43) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL12378089 0.87 CYP2C19 (0.35) CYP2C19CYP1A2CASP3KAT2BKDM4E
SCHEMBL13943914 0.85 CYP2C19 (0.40) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL4142536 0.85 CYP1A2 (0.44) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL4916625 0.84 CYP2C19 (0.39) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL4652233 0.84 CYP2C19 (0.43) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL4163236 0.84 CYP1A2 (0.43) CYP2C19CYP1A2CASP3KAT2BPARP1
SCHEMBL14270410 0.82 CYP2C19 (0.42) CYP2C19CYP1A2CASP3KAT2BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973908-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-10-01 — — EP disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 — — US disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 — — US disclosed
WO-2007076005-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-07-05 — — WO disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 — — 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS CYP2C19 1140/4885CYP1A2 1685/4885CASP3 1295/4885
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds TYMP, DUT, SAMHD1 CYP2C19 349/4885CYP1A2 686/4885CASP3 3791/4885

“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.