SCHEMBL13710264

SCHEMBL13710264

CC(C)(C)C=C1SC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 11/20 0.48
▸ PIM2 Q9P1W9 10/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ AKR1B1 P15121 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TTR P02766 1/20 0.43
▸ CISD1 Q9NZ45 2/20 0.43
▸ NAT1 P18440 1/20 0.42

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
SCHEMBL16277016 1.00 PIM1 (0.48) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL179518 1.00 PIM1 (0.48) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL12961177 0.79 PTGS2 (0.49) PTGS2RAB9ANPC1MAOACISD1
SCHEMBL19726972 0.77 PIM1 (0.45) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL19779055 0.77 PIM1 (0.45) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL13618348 0.75 — —
SCHEMBL264927 0.75 — —
SCHEMBL22939019 0.75 — —
SCHEMBL18879276 0.73 PIM1 (0.41) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL19618191 0.70 PIM1 (0.39) PIM1PIM2HPGDPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582753-B2 Process for the preparation of benzotriazepine derivatives JANSSENPHARMACEUTICA, NV (BE) 2009-09-01 — — US disclosed
US-7582753-B2 Process for the preparation of benzotriazepine derivatives JANSSENPHARMACEUTICA, NV (BE) 2009-09-01 — — US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 — — US disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 — — US disclosed
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-04-12 — — US disclosed
US-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES JANSSEN PHARMACUETICA N.V., (BE) 2007-03-22 — — US disclosed
US-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES JANSSEN PHARMACUETICA N.V., (BE) 2007-03-22 — — 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 (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-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES CCKBR, CCKAR, GRPR PIM1 4260/4885PIM2 3821/4885HPGD 2087/4885
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR PIM1 4293/4885PIM2 4355/4885HPGD 866/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR PIM1 4293/4885PIM2 4355/4885HPGD 866/4885

“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.

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