SCHEMBL7041671

SCHEMBL7041671

CCOC(=O)C(=O)c1scc(Br)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GPR35 Q9HC97 2/20 0.36
PTP4A1 Q93096 1/20 0.35
CUL4A Q13619 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7041650 0.78 PKM (0.46) GSK3BMAPTMEN1KMT2ANPSR1
SCHEMBL7039136 0.75 GPR35 (0.40) MAPTMEN1KMT2ANPSR1MAPK1
SCHEMBL7041717 0.75 GSK3B (0.50) GSK3BMAPTMEN1KMT2ANPSR1
SCHEMBL7042338 0.74 KMT2A (0.37) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL12478364 0.72 CES2 (0.60) GSK3BMAPTMEN1KMT2ANPSR1
SCHEMBL3041792 0.71 MAPT (0.46) GSK3BMAPTMEN1KMT2ANPSR1
SCHEMBL7041123 0.71 GSK3B (0.55) GSK3BGPR35
SCHEMBL424300 0.71 MAPT (0.46) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL8501054 0.70 GSK3B (0.51) GSK3BMAPTMEN1KMT2ANPSR1
SCHEMBL11085849 0.70 MAPT (0.49) MAPTLMNAMAPK1GAANPC1

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-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 GSK3B 3398/4885MAPT 1238/4885MEN1 3259/4885

“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.