SCHEMBL3097152

SCHEMBL3097152

O=C(c1ccccc1)N1CCN(C(O)=S)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.66
ALDH1A1 P00352 4/20 0.62
USP2 O75604 1/20 0.62
SIGMAR1 Q99720 1/20 0.61
BLM P54132 1/20 0.61
MAOB P27338 1/20 0.59
TSHR P16473 1/20 0.59
ACHE P22303 1/20 0.58
POLB P06746 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALOX15 P16050 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7129676 0.89 HPGD (0.79) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL252026 0.89 HPGD (0.79) HPGDALDH1A1USP2SIGMAR1BLM
Hydrochloric Acid SCHEMBL1597472 0.87 HPGD (0.76) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL28239988 0.86 HPGD (0.63) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL28239094 0.85 HPGD (0.61) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL1938606 0.83 HPGD (0.70) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL2614241 0.83 HPGD (0.84) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL27989163 0.83 ALDH1A1 (0.85) HPGDALDH1A1USP2SIGMAR1BLM
SCHEMBL3093680 0.83 CA12 (0.59) ALDH1A1POLBCA12CA1CA2
SCHEMBL4143492 0.82 HPGD (0.68) HPGDALDH1A1USP2SIGMAR1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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 (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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS HPGD 8/4885ALDH1A1 614/4885USP2 3860/4885

“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.