SCHEMBL1094791

SCHEMBL1094791

O=C(O)N1CCC(c2cc(Cl)ccc2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.45
PTGDR Q13258 3/20 0.45
SPR P35270 2/20 0.44
PTGER2 P43116 1/20 0.44
QDPR P09417 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 2/20 0.40
AVPR1A P37288 1/20 0.40
HSD11B1 P28845 1/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 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
SCHEMBL1095073 0.84 PTGDR2 (0.43) PTGDR2PTGDRSPRPTGER2CA1
SCHEMBL27642929 0.82 SCD5 (0.44) PTGDR2QDPRMEN1KMT2AGRM5
SCHEMBL28432246 0.80 RBP4 (0.54)
SCHEMBL12611071 0.80 HSD17B10 (0.48) PTGDR2PTGDRPTGER2CA1CA2
SCHEMBL1093328 0.80 MAPT (0.51) MEN1KMT2AMAPTLMNATP53
SCHEMBL1094396 0.78 RBP4 (0.47) PTGDR2QDPRMEN1KMT2AIDO1
SCHEMBL2274727 0.78 PROKR1 (0.43) SPR
SCHEMBL3477447 0.78 MAOA (0.35) PTGDR2PTGDRSPRQDPRCA1
SCHEMBL28942169 0.78 RBP4 (0.50) SPRCA1CA2MEN1KMT2A
SCHEMBL560750 0.77 HSP90AA1 (0.51) PTGDR2PTGDRPTGER2MEN1KMT2A

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
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
EP-2385938-A1 SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2011-11-16 EP disclosed
US-8040476-B2 Display device and method of producing the same MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO 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-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 PTGDR2 619/4885PTGDR 803/4885SPR 594/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 PTGDR2 619/4885PTGDR 803/4885SPR 594/4885

“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.