SCHEMBL3417243

SCHEMBL3417243

CC(Nc1ccc(O)c(C(=O)O)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.45
▸ P2RX1 P51575 2/20 0.45
▸ TMPRSS4 Q9NRS4 2/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ KDM4C Q9H3R0 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40

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
SCHEMBL4116157 0.99 PTPN5 (0.44) PTPN5P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL3417230 0.85 TMPRSS4 (0.44) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL3420560 0.81 AKR1C2 (0.47) P2RX1TMPRSS4P2RX4P2RX7AKR1C3
SCHEMBL28549936 0.80 KDM4E (0.49) P2RX1TMPRSS4P2RX4P2RX7KDM4E
SCHEMBL10298077 0.79 ALDH1A1 (0.52) MEN1KMT2AMAPTAKR1C3AKR1C2
SCHEMBL12877141 0.76 KDM4C (0.53) PTPN5KDM4EMEN1KMT2AHSD17B10
SCHEMBL29390264 0.74 KDM4C (0.69) P2RX1TMPRSS4P2RX4P2RX7KDM4E
SCHEMBL607106 0.74 KDM4C (0.69) P2RX1TMPRSS4P2RX4P2RX7KDM4E
SCHEMBL130628 0.74 ALDH1A1 (0.59) TMPRSS4KDM4EMEN1KMT2AHSD17B10
SCHEMBL1226636 0.73 KDM4C (0.50) PTPN5KDM4EMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — US claimed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 — — WO claimed
EP-2004164-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING INFLAMMATORY DISEASES NEUROTECH PHARMACEUTICALS CO LTD (KR) 2018-08-08 — — EP disclosed
US-8598383-B2 Pharmaceutical composition for treating or preventing degenerative and inflammatory diseases NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2013-12-03 — — US disclosed
US-20130316988-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2013-11-28 — — US disclosed
US-8455470-B2 Pharmaceutical composition for treating or preventing degenerative and inflammatory diseases NEUROTECH PHARMACEUTICALS CO., LTD (KR) 2013-06-04 — — US disclosed
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2012-11-29 — — US disclosed
US-20120209025-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases GWAG BYOUNG-JOO (KR) 2012-08-16 — — US disclosed
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — US disclosed
US-20090281181-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases GNT PHARMA CO., LTD. (KR) 2009-11-12 — — US disclosed
US-20090240079-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2009-09-24 — — US disclosed
US-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2009-06-11 — — US disclosed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 — — WO disclosed
EP-2004164-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DEGENERATIVE AND INFLAMMATORY DISEASES Neurotech Co., Ltd. (KR) 2008-12-24 — — EP disclosed
WO-2007119973-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DEGENERATIVE AND INFLAMMATORY DISEASES NEUROTECH CO., LTD. (KR) 2007-10-25 — — 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 (7 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-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 PTPN5 4647/4885P2RX1 4068/4885TMPRSS4 4060/4885
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 PTPN5 4647/4885P2RX1 4068/4885TMPRSS4 4060/4885
US-20120209025-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases ALOX12, ALOX15, ALOX15B PTPN5 2408/4885P2RX1 1254/4885TMPRSS4 3534/4885
US-20090240079-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases ALOX12, ALOX15, ALOX15B PTPN5 2408/4885P2RX1 1254/4885TMPRSS4 3534/4885
US-20090281181-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases ALOX12, ALOX15, ALOX15B PTPN5 2408/4885P2RX1 1254/4885TMPRSS4 3534/4885
US-20130316988-A1 Pharmaceutical Composition for Treating or Preventing Degenerative and Inflammatory Diseases ALOX12, ALOX15, ALOX15B PTPN5 2408/4885P2RX1 1254/4885TMPRSS4 3534/4885
US-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN PTPN5 3990/4885P2RX1 1509/4885TMPRSS4 791/4885

“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.

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