SCHEMBL23357778

SCHEMBL23357778

CCCCC(C(=O)N(Cc1cccs1)Cc1cccs1)N(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ POLB P06746 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ USP2 O75604 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
SCHEMBL6123012 1.00 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPSR1CTDSP1
SCHEMBL6122973 0.80 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPSR1HTT
SCHEMBL28820422 0.79 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPSR1HTT
SCHEMBL15238881 0.79 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPSR1HTT
SCHEMBL15238777 0.79 ALDH1A1 (0.44) ALDH1A1POLBHPGDNPSR1HTT
SCHEMBL15239016 0.79 ALDH1A1 (0.51) ALDH1A1POLBHPGDNPSR1HTT
SCHEMBL6122905 0.79 BMP1 (0.45) ALDH1A1POLBHPGDNPSR1CTDSP1
SCHEMBL600070 0.78 ADAMTS5 (0.51) PTGESALOX5TDP1ESR1
SCHEMBL6121972 0.77 POLB (0.59) ALDH1A1POLBHPGDNPSR1CTDSP1
SCHEMBL6122884 0.74 POLB (0.47) ALDH1A1POLBNPSR1TRPM8PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY 7 HILLS PHARMA INC. 2021-05-20 — — 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 (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-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY ITGB7, ITGA1, ITGAL ALDH1A1 760/4885POLB 3578/4885HPGD 3566/4885

“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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