SCHEMBL24029199

SCHEMBL24029199

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.70
▸ TSHR P16473 2/20 0.68
▸ HPGD P15428 1/20 0.67
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.57

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
SCHEMBL22010389 0.89 HPGD (0.69) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL24209699 0.84 HPGD (0.79) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL24209903 0.83 NPSR1 (0.68) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL24019615 0.83 NPSR1 (0.62) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL3796608 0.82 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL24210088 0.82 KMT2A (0.83) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL31396394 0.81 MEN1 (0.61) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL21952070 0.81 MEN1 (0.61) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL21952078 0.81 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL24019617 0.81 NPSR1 (0.71) ALDH1A1HPGDMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — US disclosed
WO-2021229035-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2021-11-18 — — 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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 ALDH1A1 1206/4885TSHR 4635/4885HPGD 2761/4885

“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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