SCHEMBL6723797

SCHEMBL6723797

O=[N+]([O-])c1ccccc1C(O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.47
GPR35 Q9HC97 1/20 0.42
HSD17B10 Q99714 1/20 0.41
APP P05067 2/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLAU P00749 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL30111358 0.82 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL1665793 0.82 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL1665948 0.82 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL10178099 0.82 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL3697952 0.81 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL26658643 0.80 CTSB (0.51) ALDH1A1HSD17B10APPTDP1MEN1
SCHEMBL27895759 0.80 CYP1A2 (0.49) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL28323565 0.79 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL7647482 0.79 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL31014201 0.79 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-09-14 US disclosed
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2023-05-16 US disclosed
EP-4126851-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION Petra Pharma Corporation (US) 2023-02-08 EP disclosed
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2022-11-24 US disclosed
WO-2021202964-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION PETRA PHARMA CORPORATION (US) 2021-10-07 WO disclosed
US-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections FLYNN DANIEL L (US) 2004-05-06 US disclosed
US-6673788-B2 CONTAINING 2,2,2-TRIFLUORO-1-OXOETHYL GROUPS G. D. SEARLE & CO. 2004-01-06 US disclosed
US-6673784-B1 HALOSUBSTITUTED ACETOPHENONES AS SELECTIVE HERPESVIRUS PROTEASE INHIBITORS G. D. SEARLE & CO. 2004-01-06 US disclosed
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections G. D. SEARLE & CO., CORPORATE PATENT DEPARTMENT 2003-06-26 US disclosed
EP-0888322-B1 ELECTROPHILIC KETONES FOR THE TREATMENT OF HERPESVIRUS INFECTIONS SEARLE & CO (US) 2002-09-18 EP 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 (5 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-20040087491-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK CYP1A2 290/4885ALDH1A1 747/4885TSHR 2814/4885
US-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 CYP1A2 1194/4885ALDH1A1 4447/4885TSHR 505/4885
US-20220372023-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 CYP1A2 1194/4885ALDH1A1 4447/4885TSHR 505/4885
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, AKT3, PIK3R1 CYP1A2 1194/4885ALDH1A1 4447/4885TSHR 505/4885
US-20030119721-A1 Electrophilic ketones for the treatment of herpesvirus infections KHK, HCK, PBK CYP1A2 290/4885ALDH1A1 747/4885TSHR 2814/4885

“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.