SCHEMBL3736787

SCHEMBL3736787

O=C(O)CCS(S)(S)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
FFAR1 O14842 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
KAT6A Q92794 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL18503869 0.81 HTT (0.54) ALDH1A1TSHRHTTSMN1; SMN2LMNA
SCHEMBL18503870 0.75 KEAP1 (0.54) ALDH1A1TSHRHTTSMN1; SMN2L3MBTL1
Malonic Acid SCHEMBL30741151 0.69 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2LMNAL3MBTL1NAPRT
SCHEMBL7537309 0.68 KDM4E (0.50) TSHRLMNAL3MBTL1P4HTMKDM4E
SCHEMBL4685420 0.67 NFE2L2 (0.47) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL28751128 0.67 KEAP1 (0.48) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL10438614 0.67 KAT6A (0.63) L3MBTL1KAT6AKMT2A
SCHEMBL333243 0.66 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2LMNACYP3A4HPGD
SCHEMBL29499090 0.66 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2LMNACYP3A4HPGD
Succinic Acid SCHEMBL28112695 0.66 NOS3 (0.64) ALDH1A1SMN1; SMN2LMNAL3MBTL1NAPRT

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
EP-2052011-B1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD (AU) 2020-11-04 EP disclosed
US-9127130-B2 Polylysine dendrimer contrast agent STARPHARMA PTY LTD. (AU) 2015-09-08 US disclosed
US-8420067-B2 Targeted polylysine dendrimer therapeutic agent STARPHARMA PTY LTD (AU) 2013-04-16 US disclosed
US-20100292148-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD. (AU) 2010-11-18 US disclosed
US-20100278750-A1 POLYLYSINE DENDRIMER CONTRAST AGENT STARPHARMA PTY LTD 2010-11-04 US disclosed
EP-2076557-A1 POLYLYSINE DENDRIMER CONTRAST AGENT Starpharma Pty Ltd (AU) 2009-07-08 EP disclosed
EP-2052011-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT Starpharma Pty Ltd (AU) 2009-04-29 EP disclosed
WO-2008017125-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD (AU) 2008-02-14 WO disclosed
WO-2008017122-A1 POLYLYSINE DENDRIMER CONTRAST AGENT STARPHARMA PTY LTD (AU) 2008-02-14 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 (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-20100278750-A1 POLYLYSINE DENDRIMER CONTRAST AGENT PARG, PARN, TLR3 ALDH1A1 4386/4885TSHR 3322/4885HTT 917/4885
US-20100292148-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT CLTA, PARG, FLT3 ALDH1A1 4285/4885TSHR 4133/4885HTT 1449/4885

“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.