Sugi Predict

Sugi Predict / Compounds / SCHEMBL2525946

SCHEMBL2525946

SCHEMBL2525946

CC(C)c1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRB3 P28472 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
SCHEMBL27900404 0.87 TSHR (0.49) TSHRTDP1ALDH1A1L3MBTL1PKM
SCHEMBL19413591 0.87 TSHR (0.49) TSHRTDP1ALDH1A1L3MBTL1PKM
SCHEMBL27924284 0.87 TSHR (0.49) TSHRTDP1ALDH1A1L3MBTL1PKM
SCHEMBL28171839 0.87 TSHR (0.49) TSHRTDP1ALDH1A1L3MBTL1PKM
SCHEMBL27317724 0.87 TSHR (0.49) TSHRTDP1ALDH1A1L3MBTL1PKM
SCHEMBL16958197 0.86 ALDH1A1 (0.41) TSHRTDP1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL9523650 0.85 TSHR (0.47) TSHRTDP1ALDH1A1L3MBTL1PKM
Hydrochloric Acid SCHEMBL9523653 0.85 TSHR (0.47) TSHRTDP1ALDH1A1L3MBTL1PKM
SCHEMBL18983671 0.83 TDP1 (0.52) TSHRTDP1ALDH1A1LMNACYP1A2
SCHEMBL27771692 0.83 TSHR (0.58) TSHRTDP1ALDH1A1L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399986-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-09-03 — — US disclosed
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-05-10 — — US disclosed
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-05-10 — — US disclosed
US-9777006-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-10-03 — — US disclosed
US-9777006-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-10-03 — — US disclosed
US-20160068534-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 — — US disclosed
US-20110256238-A1 WOOD PRESERVATIVE AND WOOD PROCESSING METHOD SDS BIOTECH K.K. (JP) 2011-10-20 — — 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 (4 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-20160068534-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R TSHR 2307/4885TDP1 2895/4885ALDH1A1 470/4885
US-10399986-B2 Inhibitors of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R TSHR 2332/4885TDP1 2908/4885ALDH1A1 452/4885
US-20180127424-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R TSHR 2332/4885TDP1 2908/4885ALDH1A1 452/4885
US-20110256238-A1 WOOD PRESERVATIVE AND WOOD PROCESSING METHOD CYP51A1, HPD, AKR7A2 TSHR 4669/4885TDP1 2874/4885ALDH1A1 162/4885

“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.