SCHEMBL9933474

SCHEMBL9933474

Cc1[c]cnc(OCCCC(=O)N(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
P2RY12 Q9H244 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.34
PDK2 Q15119 3/20 0.33
FAAH O00519 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
QPCT Q16769 1/20 0.32
GAA P10253 1/20 0.31
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
NR4A3 Q92570 1/20 0.31
RXRA P19793 2/20 0.30

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
SCHEMBL9935436 0.93 HSD17B10 (0.36) PDE3BPDE3AP2RY12HSD17B10HTT
SCHEMBL9934053 0.85 HTT (0.35) PDE3BPDE3AP2RY12HTT
SCHEMBL9933757 0.84 PDE3B (0.40) PDE3BPDE3AP2RY12ALDH1A1HSD17B10
SCHEMBL9935627 0.80 PDE3B (0.39) PDE3BPDE3AP2RY12ALDH1A1HTT
SCHEMBL9935367 0.79 HTT (0.35) HTTRXRARXRBRXRG
SCHEMBL9934189 0.77
SCHEMBL9935623 0.75 MTNR1A (0.33) PDE3BPDE3AP2RY12ALDH1A1HSD17B10
SCHEMBL9934511 0.75 THRB (0.36) ALDH1A1HTT
SCHEMBL9934641 0.74 SYK (0.30)
SCHEMBL9933834 0.73 NOS3 (0.32)

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-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PDE3B 2073/4885PDE3A 2299/4885P2RY12 371/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PDE3B 2033/4885PDE3A 2602/4885P2RY12 237/4885

“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.