SCHEMBL21856017

SCHEMBL21856017

Nc1nccc(S)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.41
NOS2 P35228 7/20 0.41
TRPV4 Q9HBA0 1/20 0.34
USP7 Q93009 1/20 0.34
NOS1 P29475 3/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
BACE1 P56817 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LOX P28300 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29506010 1.00 NOS3 (0.41) NOS3NOS2TRPV4USP7NOS1
SCHEMBL31050050 0.81 NOS2 (0.39) NOS3NOS2NOS1F12PLAU
SCHEMBL1491842 0.80 NOS2 (0.42) NOS3NOS2USP7NOS1LOXL2
SCHEMBL29506023 0.77 NOS3 (0.39) NOS3NOS2USP7NOS1LOXL2
SCHEMBL21856159 0.77 NOS3 (0.39) NOS3NOS2USP7NOS1LOXL2
SCHEMBL3058718 0.77 NOS3 (0.39) NOS3NOS2USP7NOS1LOXL2
SCHEMBL3945531 0.77 NOTUM (0.39) NOS3NOS2USP7NOS1LOXL2
SCHEMBL20347074 0.74 TRPV4 (0.34) NOS3NOS2TRPV4
SCHEMBL18328550 0.74 TRPV4 (0.34) NOS3NOS2TRPV4
SCHEMBL29953415 0.72 NOS2 (0.36) NOS3NOS2USP7NOS1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 CN disclosed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 US disclosed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 US disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 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-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NOS3 2896/4885NOS2 2801/4885TRPV4 4018/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C NOS3 3011/4885NOS2 2788/4885TRPV4 4080/4885
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C NOS3 3011/4885NOS2 2788/4885TRPV4 4080/4885

“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.