Sugi Predict

Sugi Predict / Compounds / SCHEMBL232053

SCHEMBL232053

SCHEMBL232053

COc1cccc(Sc2cc(C(=O)O)cc(C(=O)c3ccc(N(C)c4ccc(Cl)cc4)cc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTC4S Q16873 7/20 0.47
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40

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
SCHEMBL232069 0.88 LTC4S (0.53) LTC4SLMNAL3MBTL1
SCHEMBL233590 0.88 SRD5A2 (0.42) LTC4SLMNAL3MBTL1POLBMAPT
SCHEMBL2743209 0.87 LMNA (0.46) LTC4SHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL233511 0.84 LMNA (0.47) LTC4SHPGDLMNAL3MBTL1MEN1
SCHEMBL2743156 0.84 LTC4S (0.49) LTC4SHPGDLMNAL3MBTL1TDP1
SCHEMBL2743210 0.83 LTC4S (0.41) LTC4SHPGDLMNAL3MBTL1MEN1
SCHEMBL2743178 0.82 NPC1 (0.50) LTC4SHPGDLMNATDP1MEN1
SCHEMBL231095 0.81 LTC4S (0.42) LTC4SLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL233238 0.78 SRD5A2 (0.51) LTC4SHPGDLMNAL3MBTL1POLB
SCHEMBL2743160 0.78 MRGPRX4 (0.45) LTC4SLMNAL3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 — — US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 — — US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 — — US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 — — US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 — — US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 — — 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-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885HPGD 247/4885LMNA 672/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885HPGD 169/4885LMNA 1141/4885

“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.