SCHEMBL1106989

SCHEMBL1106989

COC(=O)COc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
PTGDR Q13258 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL31693741 0.86 KDM4E (0.50) TDP1MAPTLMNARECQLALDH1A1
SCHEMBL20523189 0.84 MAPT (0.46) TDP1MAPTLMNAPKMRECQL
SCHEMBL8876679 0.83 ALDH1A1 (0.65) TDP1MAPTPKMALDH1A1SMN1; SMN2
SCHEMBL3200247 0.83 MAPK1 (0.47) TDP1MAPTLMNARECQLALDH1A1
SCHEMBL29979942 0.82 AR (0.58) MAPTALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL2978081 0.82 AR (0.58) MAPTALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL12309435 0.80 ALDH1A1 (0.68) TDP1RECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL30597073 0.80 ALDH1A1 (0.68) TDP1RECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL7678122 0.80 TSHR (0.50) TDP1MAPTPKMALDH1A1KMT2A
SCHEMBL16972813 0.80 LMNA (0.49) TDP1MAPTLMNAPTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
EP-2407453-A1 PGD2 receptor antagonist Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-2407459-A1 Synthetic intermediate in the production of a sulfonamide derivative having PGD2 receptor antagonistic activity Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 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 (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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 TDP1 4783/4885MAPT 4835/4885LMNA 3756/4885

“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.