SCHEMBL2282333

SCHEMBL2282333

CC(C)(C)SCc1cc([N+](=O)[O-])ccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
CYP3A4 P08684 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 4/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.38
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
PDE4A P27815 1/20 0.37
BLM P54132 1/20 0.37
PDE1B Q01064 1/20 0.37
PMP22 Q01453 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37

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
SCHEMBL2281996 0.85 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1LMNAHPGD
SCHEMBL29368452 0.82 CYP1A2 (0.47) ALDH1A1CYP3A4TDP1LMNAHPGD
SCHEMBL260864 0.82 CYP1A2 (0.47) ALDH1A1CYP3A4TDP1LMNAHPGD
SCHEMBL28218218 0.80 POLB (0.52) ALDH1A1CYP3A4TDP1LMNATSHR
SCHEMBL24032779 0.80 HSD17B10 (0.51) ALDH1A1LMNAHPGDHTTKMT2A
SCHEMBL19336225 0.77 POLB (0.52) ALDH1A1CYP3A4TDP1LMNATSHR
SCHEMBL13006522 0.76 CYP1A2 (0.42) ALDH1A1CYP3A4TDP1LMNAHPGD
SCHEMBL18331626 0.76 CYP1A2 (0.42) ALDH1A1CYP3A4TDP1LMNAHPGD
SCHEMBL695556 0.74 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1LMNAL3MBTL1
SCHEMBL30933154 0.74 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 ALDH1A1 2155/4885CYP3A4 1367/4885TDP1 4636/4885

“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.