SCHEMBL23478917

SCHEMBL23478917

Cc1cc(C(C)(C)S)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.54
NOS2 P35228 6/20 0.54
NOS1 P29475 4/20 0.54
MAP4K4 O95819 1/20 0.41
POLB P06746 2/20 0.35
UHRF1 Q96T88 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
CYP2A6 P11509 1/20 0.32
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NUDT1 P36639 2/20 0.30

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
SCHEMBL10202034 0.83 NOS3 (0.58) NOS3NOS2NOS1MAP4K4POLB
SCHEMBL29704112 0.77 NOS3 (0.56) NOS3NOS2NOS1MAP4K4POLB
SCHEMBL6985744 0.77 NOS3 (0.56) NOS3NOS2NOS1MAP4K4POLB
SCHEMBL22752275 0.73 KDM4E (0.35) MAP4K4POLBKDM4ENPC1ALDH1A1
SCHEMBL15889131 0.71
SCHEMBL30868367 0.71 NOS3 (0.48) NOS3NOS2NOS1MAP4K4POLB
SCHEMBL31619921 0.70
SCHEMBL29765539 0.70
SCHEMBL24967799 0.70
SCHEMBL670767 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 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 (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-20210171531-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 NOS3 3501/4885NOS2 2487/4885NOS1 3702/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NOS3 3501/4885NOS2 2487/4885NOS1 3702/4885

“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.