SCHEMBL15724364

SCHEMBL15724364

COCC(=O)Cn1ccc2c(F)cc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRIN2B Q13224 8/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PLA2G4A P47712 1/20 0.33
▸ RHEB Q15382 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ NR3C2 P08235 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
SCHEMBL14487638 0.80 KMT2A (0.46) GRIN2BKDM4ERHEB
SCHEMBL14484902 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6870576 0.76 GRIN2B (0.44) ALDH1A1HPGDGRIN2BKDM4E
SCHEMBL23927865 0.67 HTR2C (0.34) HPGDGRIN2B
SCHEMBL23956094 0.67 HTR2C (0.59) —
Fumaric Acid SCHEMBL23927864 0.67 HTR2C (0.48) ALDH1A1HPGDKDM4E
Fumaric Acid SCHEMBL29435353 0.67 HTR2C (0.48) ALDH1A1HPGDKDM4E
SCHEMBL25883081 0.65 HTR2C (0.43) ALDH1A1HPGDKDM4E
SCHEMBL615897 0.64 RHEB (0.42) ALDH1A1KDM4ERHEB
SCHEMBL28882191 0.64 DAO (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — 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
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 (1 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-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885HPGD 1093/4885TSHR 4824/4885

“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.

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