SCHEMBL1107060

SCHEMBL1107060

COC(=O)COc1cc(N2CCNCC2)ccc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.41
MEN1 O00255 5/20 0.39
CYP1A2 P05177 5/20 0.39
KMT2A Q03164 5/20 0.39
USP2 O75604 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
HIF1A Q16665 4/20 0.39
CYP2C9 P11712 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL1107056 0.83 HTR7 (0.51) MEN1KMT2AUSP2ALDH1A1CYP2C9
SCHEMBL1107067 0.82 PTGDR (0.51) MEN1CYP1A2KMT2APTGDRCHEK1
SCHEMBL7360171 0.82 ADRB1 (0.43) ADRB1HTR7LMNA
SCHEMBL1107049 0.80 ADRB1 (0.51) ADRB1HTR7LMNAPTGDR
SCHEMBL1107020 0.80 CHRNB2 (0.46) ADRB1HTR7
SCHEMBL1106997 0.79 PTGDR (0.50) MEN1KMT2AALDH1A1ADRB1HDAC3
SCHEMBL1107015 0.79 CHRNB2 (0.45) ADRB1HTR7PTGDR
SCHEMBL1107022 0.78 KMT2A (0.50) MEN1CYP1A2KMT2ACYP3A4CYP2C9
SCHEMBL16788139 0.78 PTGDR (0.47) MEN1KMT2AALDH1A1SMN1; SMN2ADRB1
SCHEMBL1107062 0.78 CCR1 (0.41) ALDH1A1CHEK1

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-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-2407453-A1 PGD2 receptor antagonist 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 P2RX3 159/4885MEN1 4845/4885CYP1A2 633/4885

“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.