SCHEMBL15730588

SCHEMBL15730588

Cn1cc(C(F)F)c(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP2C19 P33261 2/20 0.37
POLB P06746 2/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
SOS1 Q07889 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDH1 O75874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL2737292 0.84 GAA (0.38) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL23888997 0.81 GAA (0.36) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL20763634 0.81 GAA (0.36) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL24247717 0.78 GAA (0.38) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL15723766 0.77 LRRK2 (0.38) CYP1A2
SCHEMBL17066934 0.76 KCNH2 (0.33) CYP1A2HTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3329152 0.72 CYP2C19 (0.43) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL5697428 0.72 COMT (0.35) GAASOS1HTTALDH1A1L3MBTL1
SCHEMBL15623924 0.72 GAA (0.41) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL31155166 0.72 GAA (0.38) GAACYP2C19POLBCYP3A4LMNA

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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GAA 148/4885CYP2C19 386/4885POLB 1747/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GAA 148/4885CYP2C19 386/4885POLB 1747/4885

“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.