SCHEMBL2595132

SCHEMBL2595132

CN1C(=O)CSC1=Nc1ccc(C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ ALDH1A1 P00352 8/20 0.61
▸ LMNA P02545 2/20 0.52
▸ TP53 P04637 1/20 0.51
▸ GAA P10253 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ THRB P10828 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL14876942 1.00 MEN1 (0.71) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL2595128 1.00 MEN1 (0.71) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4056197 0.88 MEN1 (0.60) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL4056200 0.88 MEN1 (0.60) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL2589796 0.83 MEN1 (0.68) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2589792 0.83 MEN1 (0.68) MEN1KMT2AALDH1A1LMNAGAA
Bromide SCHEMBL11180829 0.81 MEN1 (0.66) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2587984 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2587982 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1LMNAGAA
Bromide SCHEMBL11277318 0.81 MEN1 (0.66) MEN1KMT2AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249191-A1 Compositions for Controlling Vascularization in Ophthalmological and Dermatological Diseases AVIENNE PHARMACEUTICALS GMBH (AT) 2014-09-04 — — US disclosed
US-20130102645-A1 Methods and compositions for controlling vascularization in ophthalmological and dermatological diseases AVIENNE PHARMACEUTICALS GMBH (AT) 2013-04-25 — — US disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — 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-20130102645-A1 Methods and compositions for controlling vascularization in ophthalmological and dermatological diseases KDR, REN, FLT1 MEN1 2094/4885KMT2A 4438/4885ALDH1A1 1466/4885
US-20140249191-A1 Compositions for Controlling Vascularization in Ophthalmological and Dermatological Diseases FLT1, KDR, FLT4 MEN1 1801/4885KMT2A 4419/4885ALDH1A1 735/4885

“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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