SCHEMBL366446

SCHEMBL366446

COc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
FFAR1 O14842 2/20 0.53
TUBB1 Q9H4B7 2/20 0.52
CYP2D6 P10635 1/20 0.48
MAOB P27338 6/20 0.47
MAOA P21397 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
SLC26A4 O43511 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MDH2 P40926 1/20 0.43
PLAT P00750 1/20 0.43

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
SCHEMBL31533148 0.86 ALDH1A1 (0.58) ALDH1A1TUBB1MAOBMAOANPC1
SCHEMBL1508320 0.85 CYP2D6 (0.53) FFAR1CYP2D6MAOBMAOAMEN1
SCHEMBL5885604 0.85 ALDH1A1 (0.68) ALDH1A1TUBB1MAOBNPC1RAB9A
SCHEMBL31395253 0.84 CYP2D6 (0.53) ALDH1A1FFAR1CYP2D6MAOBMAOA
SCHEMBL13221277 0.84 PDGFRA (0.50) FFAR1CYP2D6MAOBMAOAMEN1
SCHEMBL31591485 0.83 MAOB (0.57) ALDH1A1TUBB1MAOBMAOA
SCHEMBL14367331 0.82 ALDH1A1 (0.60) ALDH1A1TUBB1MAOBMAOANPC1
SCHEMBL25222497 0.82 TUBB1 (0.55) ALDH1A1TUBB1NPC1RAB9ATDP1
SCHEMBL1508157 0.81 CYP2D6 (0.50) ALDH1A1FFAR1CYP2D6MAOBMAOA
SCHEMBL31591495 0.81 ALDH1A1 (0.58) ALDH1A1TUBB1MAOBMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
EP-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593428-A2 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
WO-2012007868-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007868-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 ALDH1A1 195/4885FFAR1 219/4885TUBB1 3018/4885
US-20130109701-A1 Chemical Compounds SCN1A, SCN1B, SCN7A ALDH1A1 767/4885FFAR1 741/4885TUBB1 2117/4885

“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.