Sugi Predict

Sugi Predict / Compounds / SCHEMBL25192586

SCHEMBL25192586

SCHEMBL25192586

[CH2]c1ccc2c(c1)OC(C)(C)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ KIF11 P52732 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1098576 0.77 CTNNB1 (0.41) KIF11NPC1RAB9A
SCHEMBL1428264 0.75 CYP1A2 (0.36) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8167005 0.74 TSHR (0.59) TSHRKIF11ALOX15ALOX12CYP1A2
SCHEMBL7519328 0.74 TSHR (1.00) TSHRKIF11ALOX15ALOX12CYP1A2
SCHEMBL18435520 0.73 TSHR (0.56) TSHRKIF11ALOX15ALOX12CYP1A2
SCHEMBL16127115 0.73 TSHR (0.56) TSHRKIF11ALOX15ALOX12CYP1A2
SCHEMBL22854018 0.73 TSHR (0.56) TSHRKIF11ALOX15ALOX12CYP1A2
SCHEMBL361525 0.73 TSHR (0.56) TSHRKIF11ALOX15ALOX12CYP1A2
SCHEMBL16379410 0.72 TSHR (0.50) TSHRKIF11ALOX15ALOX12CYP1A2
Hydrochloric Acid SCHEMBL11427572 0.71 MAPT (0.63) TSHRKIF11ALOX15ALOX12CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207410-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF NEURODERM, LTD. (IL) 2024-06-27 — — US disclosed
EP-4305049-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF Neuroderm Ltd (IL) 2024-01-17 — — EP disclosed
US-11844754-B2 Methods for treatment of Parkinson's disease NEURODERM, LTD. (IL) 2023-12-19 — — US disclosed
CN-116964069-A Stabilized liquid compositions comprising levodopa-tyrosine conjugates and uses thereof 纽罗德姆有限公司 2023-10-27 — — CN disclosed
WO-2023126945-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE NEURODERM, LTD. (IL) 2023-07-06 — — WO disclosed
US-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEURODERM, LTD. (IL) 2023-05-25 — — 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 (3 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-11844754-B2 Methods for treatment of Parkinson's disease DDC, DDT, SLC6A3 TSHR 2799/4885KIF11 3583/4885ALOX15 1222/4885
US-20240207410-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF COMT, TH, DDT TSHR 2036/4885KIF11 2237/4885ALOX15 395/4885
US-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE DDC, DDT, COMT TSHR 2705/4885KIF11 3556/4885ALOX15 1210/4885

“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.