Sugi Predict

Sugi Predict / Compounds / SCHEMBL3511203

SCHEMBL3511203

SCHEMBL3511203

O=C(CF)c1cccc(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GRM5 P41594 1/20 0.44
▸ CTSA P10619 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ P2RX7 Q99572 2/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32

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
SCHEMBL3667838 0.85 ALDH1A1 (0.39) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL15988712 0.84 ALDH1A1 (0.51) ALDH1A1HPGDGRM5CTSAKDM4E
SCHEMBL3508261 0.82 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAKDM4E
SCHEMBL31096237 0.82 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAKDM4E
SCHEMBL3508834 0.82 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAKDM4E
SCHEMBL29449409 0.82 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAKDM4E
SCHEMBL6564811 0.81 ALDH1A1 (0.49) ALDH1A1HPGDGRM5CTSAKDM4E
SCHEMBL13135972 0.81 ALDH1A1 (0.49) ALDH1A1HPGDGRM5CTSAKDM4E
Hydrochloric Acid SCHEMBL2865450 0.79 ALDH1A1 (0.47) ALDH1A1HPGDGRM5CTSAKDM4E
SCHEMBL4897406 0.79 ALDH1A1 (0.48) ALDH1A1HPGDGRM5CTSAKDM4E

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-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — 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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 ALDH1A1 3244/4885HPGD 2595/4885GRM5 2811/4885

“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.