SCHEMBL10085548

SCHEMBL10085548

CC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.61
PLD2 O14939 1/20 0.59
PLD1 Q13393 1/20 0.59
AR P10275 1/20 0.50
PYGL P06737 1/20 0.47
PYGM P11217 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PIN1 Q13526 1/20 0.45
PDPK1 O15530 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC2 Q92769 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL16599412 0.87 HRH4 (0.60) HRH4PLD2PLD1ARALDH1A1
SCHEMBL377228 0.85 KDM4E (0.63) HRH4PLD2PLD1ARPYGL
SCHEMBL30314640 0.84 HRH4 (0.58) HRH4PLD2PLD1ARPYGL
SCHEMBL16236301 0.83 HRH4 (0.57) HRH4PLD2PLD1ARPYGL
SCHEMBL18580365 0.83 HRH4 (0.57) HRH4PLD2PLD1ARPYGL
SCHEMBL829726 0.81 HRH4 (0.55) HRH4PLD2PLD1ARPYGL
SCHEMBL8860011 0.81 HRH4 (0.55) HRH4PLD2PLD1ARPYGL
SCHEMBL30719997 0.80 KDM4E (0.68) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL926927 0.80 KDM4E (0.68) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2642882 0.79 HRH4 (0.53) HRH4PLD2PLD1ARPYGL

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-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
WO-2012051708-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES, AND METHODS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-04-26 WO 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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 HRH4 2159/4885PLD2 3382/4885PLD1 2334/4885
US-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 HRH4 2159/4885PLD2 3382/4885PLD1 2334/4885

“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.