Sugi Predict

Sugi Predict / Compounds / SCHEMBL4432803

SCHEMBL4432803

SCHEMBL4432803

CC(Oc1ccccc1C(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ HSD17B10 Q99714 6/20 0.51
▸ HPGD P15428 5/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ HMGB1 P09429 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GGT1 P19440 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ NAPRT Q6XQN6 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL5038454 0.90 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL20516075 0.86 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL18700956 0.83 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL4247156 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL31336377 0.82 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL29374906 0.82 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL282647 0.82 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL219675 0.82 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL6559414 0.80 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDESR1
Bicarbonate SCHEMBL20694826 0.80 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDESR1

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-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 — — US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 — — US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 — — US disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 — — 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 KDM4E 2701/4885ALDH1A1 1436/4885HSD17B10 2913/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 KDM4E 2701/4885ALDH1A1 1436/4885HSD17B10 2913/4885

“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.