SCHEMBL2880002

SCHEMBL2880002

O=[N+]([O-])c1ccccc1CCS

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TSHR P16473 1/20 0.62
HPGD P15428 1/20 0.56
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
FOLH1 Q04609 1/20 0.46
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3202573 0.87 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL4198053 0.85 ALDH1A1 (0.64) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL8867793 0.82 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL249845 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL301933 0.80 ALDH1A1 (0.69) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL1814444 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL249846 0.79 ALDH1A1 (0.68) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL5186181 0.79 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL13477030 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL30408060 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10

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
US-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US disclosed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
US-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-03 US disclosed
EP-2540764-A2 Poly(organophosphazene) composition for biomaterials Korea Institute of Science and Technology (KR) 2013-01-02 EP disclosed
US-8313771-B2 Phosphazene hydrogels with chemical corss-link, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-20 US disclosed
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF Korean Institute of Science and Technology of Seoul, Republic of Korea 2012-05-17 US disclosed
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF DECA ITALIA S.R.L. (IT) 2010-11-25 US disclosed
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-19 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 (5 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-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS PHOSPHO1, PGLS, PHYKPL ALDH1A1 2323/4885TSHR 4580/4885HPGD 697/4885
US-20120121517-A1 BIODEGRADABLE AND THERMOSENSITIVE POLY(ORGANOPHOSPHAZENE)-SUPERPARAMAGNETIC NANOPARTICLE COMPLEX, PREPARATION METHOD AND USE THEREOF PHOSPHO1, HSPA2, FEM1B ALDH1A1 4557/4885TSHR 929/4885HPGD 1345/4885
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PGLS, NAPEPLD ALDH1A1 3212/4885TSHR 4408/4885HPGD 526/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D ALDH1A1 4053/4885TSHR 3450/4885HPGD 2422/4885
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF PRUNE1, PHYKPL, PAPSS1 ALDH1A1 750/4885TSHR 3405/4885HPGD 185/4885

“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.