SCHEMBL14938577

SCHEMBL14938577

Cc1nc(OC(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 12/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR4 O95977 2/20 0.38
MAPT P10636 2/20 0.38
S1PR1 P21453 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
PDE10A Q9Y233 1/20 0.37
JAK2 O60674 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GSR P00390 2/20 0.36
CRHR1 P34998 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL31123916 1.00 TXNRD1 (0.43) TXNRD1CYP3A4TSHRHTTALDH1A1
SCHEMBL17372594 0.85 TXNRD1 (0.48) TXNRD1CYP3A4TSHRHTTALDH1A1
SCHEMBL27227490 0.83 TXNRD1 (0.40) TXNRD1CYP3A4TSHRHTTALDH1A1
SCHEMBL1428159 0.81 TXNRD1 (0.58) TXNRD1HTTS1PR4MAPTS1PR1
SCHEMBL29829685 0.81 TXNRD1 (0.48) TXNRD1HTTALDH1A1S1PR4MAPT
SCHEMBL27175934 0.81 TXNRD1 (0.48) TXNRD1HTTALDH1A1S1PR4MAPT
SCHEMBL7836091 0.79 TXNRD1 (0.56) TXNRD1HTTS1PR4MAPTS1PR1
SCHEMBL7836089 0.79 TXNRD1 (0.56) TXNRD1HTTS1PR4MAPTS1PR1
SCHEMBL7836090 0.79 TXNRD1 (0.56) TXNRD1HTTS1PR4MAPTS1PR1
SCHEMBL16126094 0.77 TXNRD1 (0.40) TXNRD1CYP3A4TSHRHTTS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688161-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-02-11 EP disclosed
US-20250171463-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. 2025-05-29 US disclosed
EP-4482587-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF Biogen MA Inc. (US) 2025-01-01 EP disclosed
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-10 US disclosed
WO-2024206357-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-10-03 WO disclosed
WO-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed
WO-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 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 (3 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 TXNRD1 350/4885CYP3A4 770/4885TSHR 2062/4885
US-20250171463-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF EBPL, EBP, CREBBP TXNRD1 1557/4885CYP3A4 4765/4885TSHR 3792/4885
US-20240336608-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN TXNRD1 3117/4885CYP3A4 436/4885TSHR 1905/4885

“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.