SCHEMBL23069604

SCHEMBL23069604

O=C(N[C@@H](Cc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.50
ITGA2B P08514 9/20 0.50
TACR1 P25103 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
GPR132 Q9UNW8 1/20 0.47
MME P08473 2/20 0.47
ECE1 P42892 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ITGAV P06756 1/20 0.47
GPR34 Q9UPC5 1/20 0.45
PTPN1 P18031 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL29664049 1.00 ITGB3 (0.50) ITGB3ITGA2BTACR1PPARGPPARA
SCHEMBL17685870 1.00 ITGB3 (0.50) ITGB3ITGA2BTACR1PPARGPPARA
SCHEMBL23069521 0.96 TACR1 (0.51) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL23069520 0.96 TACR1 (0.51) ITGB3ITGA2BTACR1MMEECE1
SCHEMBL29653507 0.94 TACR1 (0.49) ITGB3ITGA2BTACR1PPARGPPARA
SCHEMBL23086004 0.92 TACR1 (0.47) ITGB3ITGA2BTACR1PPARGMEN1
SCHEMBL17685865 0.92 KYNU (0.50) TACR1PPARGMEN1KMT2ACTSL
SCHEMBL17685866 0.92 KYNU (0.50) TACR1PPARGMEN1KMT2ACTSL
SCHEMBL23069517 0.92 ITGB3 (0.52) ITGB3ITGA2BTACR1GPR132MME
SCHEMBL23069519 0.92 ITGB3 (0.52) ITGB3ITGA2BTACR1GPR132MME

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-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF NEURODERM LTD (IL) 2022-11-17 US disclosed
EP-4025200-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF Neuroderm Ltd (IL) 2022-07-13 EP disclosed
WO-2021044420-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF NEURODERM, LTD. (IL) 2021-03-11 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-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF DAO, DDC, AADAT ITGB3 3733/4885ITGA2B 2850/4885TACR1 891/4885

“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.