SCHEMBL23139482

SCHEMBL23139482

CNC(=O)Nc1ccc(C(C)C)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ HSPD1 P10809 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ HSPE1 P61604 1/20 0.41
▸ CA2 P00918 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA9 Q16790 2/20 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
SCHEMBL25509852 0.85 CA12 (0.53) ALDH1A1KMT2ATRPA1LMNACHRM1
SCHEMBL23139479 0.83 GAA (0.47) ALDH1A1KMT2ATRPA1LMNACHRM1
SCHEMBL25494265 0.83 NPC1 (0.51) ALDH1A1KMT2ATRPA1LMNACHRM1
SCHEMBL11541781 0.82 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL11542209 0.82 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL25495313 0.81 KMT2A (0.53) ALDH1A1KMT2ATRPA1LMNACHRM1
SCHEMBL13804531 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL23139488 0.80 SMN1; SMN2 (0.49) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL25494277 0.79 GAA (0.64) ALDH1A1KMT2ATRPA1LMNACHRM1
SCHEMBL24599223 0.78 S1PR1 (0.59) ALDH1A1LMNACHRM1ADRA1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 — — US disclosed
WO-2024086664-A2 COVALENT INHIBITORS OF WILD-TYPE AND MUTANT PI3K AND METHOD OF USES THEREOF TOTUS MEDICINES INC. (US) 2024-04-25 — — WO disclosed
WO-2023183936-A2 COMBINATION THERAPY OF A PI3K INHIBITOR AND KRAS INHIBITOR AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 — — WO disclosed
US-20220387603-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. 2022-12-08 — — US disclosed
WO-2021055747-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. (US) 2021-03-25 — — 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-12029791-B2 Therapeutic conjugates CD47, CD44, EPCAM ALDH1A1 1307/4885KMT2A 2318/4885TRPA1 4885/4885
US-20220387603-A1 THERAPEUTIC CONJUGATES CD47, CD44, EPCAM ALDH1A1 1307/4885KMT2A 2318/4885TRPA1 4885/4885

“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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