SCHEMBL31396552

SCHEMBL31396552

COCc1c(-c2ccnc(F)c2)c2cc(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
MAPT P10636 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
CCKAR P32238 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
RIPK3 Q9Y572 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PCSK9 Q8NBP7 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL31396477 0.90 PTGDR2 (0.35) PTGDR2ENPP3ENPP1MAPTCYP3A4
SCHEMBL31396595 0.89 PTGDR2 (0.33) PTGDR2ENPP3ENPP1
SCHEMBL31396633 0.88 ENPP3 (0.34) PTGDR2ENPP3ENPP1MAPTCYP3A4
SCHEMBL31396494 0.88 MAPT (0.37) PTGDR2ENPP3ENPP1MAPTCYP3A4
SCHEMBL30280408 0.80 ENPP3 (0.38) PTGDR2ENPP3ENPP1MAPTLMNA
SCHEMBL31396603 0.79 MAPT (0.36) PTGDR2ENPP3ENPP1MAPTCYP3A4
SCHEMBL31396543 0.79 PTGDR2 (0.34) PTGDR2ENPP3ENPP1MAPTLMNA
SCHEMBL31396578 0.77 PTGDR2 (0.37) PTGDR2ENPP3ENPP1MAPTCYP3A4
SCHEMBL31436003 0.76 MAPT (0.39) PTGDR2MAPTLMNAMEN1ALDH1A1
SCHEMBL31396602 0.75 KCNH2 (0.36) PTGDR2ENPP3ENPP1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425499-A1 TYRO3 INHIBITORS HALIA THERAPEUTICS INC (US) 2024-12-26 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 (1 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-20240425499-A1 TYRO3 INHIBITORS TYRO3, TYR, TH PTGDR2 2791/4885ENPP3 1096/4885ENPP1 1738/4885

“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.