Sugi Predict

Sugi Predict / Compounds / SCHEMBL6523606

SCHEMBL6523606

SCHEMBL6523606

N[C@@H](CSSC[C@H](N)C(=O)OC(=O)c1ccccc1)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ SLC1A5 Q15758 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 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
SCHEMBL7766994 0.86 ALDH1A1 (0.49) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL21385349 0.85 ALDH1A1 (0.47) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL21081465 0.81 ALDH1A1 (0.47) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL6514022 0.81 ALDH1A1 (0.47) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL9978623 0.81 ALDH1A1 (0.44) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL2638485 0.80 SLC7A5 (0.58) ALDH1A1SLC1A5TDP1KMT2ASLC6A2
SCHEMBL21081464 0.80 MAPK1 (0.47) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL24247679 0.79 LARS1 (0.46) ALDH1A1SLC1A5TDP1KMT2AMAPK1
SCHEMBL28361736 0.79 SLC7A5 (0.56) ALDH1A1SLC1A5TDP1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL6751555 0.79 SLC1A5 (0.51) ALDH1A1SLC1A5TDP1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108949148-B A kind of rare earth supermolecular gel fluorescent material and preparation method thereof 华中科技大学 2019-08-30 — — CN disclosed
CN-108949148-A A kind of rare earth supermolecular gel fluorescent material and preparation method thereof 华中科技大学 2018-12-07 — — CN disclosed
US-8828288-B2 Porous, low density nanoclay composite MILLIKEN & COMPANY (US) 2014-09-09 — — US disclosed
US-20120309245-A1 POROUS, LOW DENSITY NANOCLAY COMPOSITE LIAO QI (US) 2012-12-06 — — US disclosed
WO-2012166832-A2 POROUS, LOW DENSITY NANOCLAY COMPOSITE MILLIKEN & COMPANY (US) 2012-12-06 — — WO disclosed
US-20050272677-A1 Delivery of a substance to a pre-determined site APPLIED NANOSYSTEMS B.V. (NL) 2005-12-08 — — US disclosed
EP-1490028-A1 DELIVERY OF A SUBSTANCE TO A PRE-DETERMINED SITE Applied NanoSystems B.V. (NL) 2004-12-29 — — EP disclosed
WO-2003084508-A1 DELIVERY OF A SUBSTANCE TO A PRE-DETERMINED SITE APPLIED NANOSYSTEMS B.V. (NL) 2003-10-16 — — 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 (1 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-20050272677-A1 Delivery of a substance to a pre-determined site TACR1, TACR2, NPSR1 ALDH1A1 788/4885SLC1A5 775/4885TDP1 3574/4885

“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.