SCHEMBL1576691

SCHEMBL1576691

O=C(N1CCC(c2ccc(S(=O)(=O)Cl)cc2)CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM1A O60341 1/20 0.41
RIPK1 Q13546 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TP53 P04637 2/20 0.39
CNR2 P34972 1/20 0.39
NAMPT P43490 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 3/20 0.38
GPR119 Q8TDV5 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL5695055 0.86 P2RY14 (0.43) P2RY14CA12CA1CA2CA7
SCHEMBL5695210 0.86 CA2 (0.59) P2RY14CA12CA1CA2CA7
SCHEMBL24762040 0.83 EPHX2 (0.42) KDM1ARIPK1CNR2NAMPTEPHX2
SCHEMBL2626598 0.83 SLC9A1 (0.48) P2RY14CA12CA1CA2CA7
SCHEMBL9828082 0.81 QDPR (0.56) CA12CA1CA2CA7CA9
SCHEMBL4768774 0.80 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL24762679 0.80 MEN1 (0.46) KDM1AHTTEPHX2EPHX1
SCHEMBL4776586 0.80 KDM1A (0.39) CA12CA1CA2CA7CA9
SCHEMBL571736 0.80 P2RY14 (0.47) P2RY14CA12CA1CA2CA7
SCHEMBL20124850 0.80 P2RY14 (0.45) P2RY14KDM1ARIPK1TLR9TLR8

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ANTABIO SAS (FR) 2016-09-22 US disclosed
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ANTABIO SAS (FR) 2016-09-22 US disclosed
WO-2014198849-A1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2014-12-18 WO disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
EP-1963281-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP disclosed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US disclosed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP disclosed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 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 (3 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 P2RY14 298/4885CA12 3362/4885CA1 1084/4885
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ME1, TALDO1, COASY P2RY14 4720/4885CA12 2277/4885CA1 2180/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 P2RY14 143/4885CA12 3611/4885CA1 1659/4885

“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.