SCHEMBL680731

SCHEMBL680731

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 10/20 0.53
▸ PIM2 Q9P1W9 9/20 0.48
▸ HPGD P15428 3/20 0.48
▸ 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
SCHEMBL13340886 1.00 PIM1 (0.53) PIM1PIM2HPGDPIM3AKR1B1
SCHEMBL15315393 0.81 POLB (0.46) PIM1GSK3B
SCHEMBL19928705 0.81 POLB (0.46) PIM1GSK3B
SCHEMBL19928680 0.79 MYC (0.53) RAB9ANPC1MAOACISD1NAT1
SCHEMBL19928700 0.79 MYC (0.53) RAB9ANPC1MAOACISD1NAT1
SCHEMBL18598096 0.75 IGF1R (0.43) PIM1PIM2HPGDPIM3AKR1B1
SCHEMBL13618348 0.75 — —
SCHEMBL264927 0.75 — —
SCHEMBL22939019 0.75 — —
SCHEMBL7121390 0.71 AKR1B1 (0.55) PIM1PIM2HPGDPIM3AKR1B1

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-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 — — US disclosed
US-20110098303-A1 Method of promoting nail growth using thyromimetic compounds DOHERTY NIALL S 2011-04-28 — — 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-20110098303-A1 Method of promoting nail growth using thyromimetic compounds TPO, POLR1C, TYR PIM1 3394/4885PIM2 3882/4885HPGD 1260/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIM1 385/4885PIM2 397/4885HPGD 1945/4885

“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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