SCHEMBL21169261

SCHEMBL21169261

CC(S)Cc1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ SGMS2 Q8NHU3 1/20 0.51
▸ KCNK3 O14649 3/20 0.49
▸ KCNK9 Q9NPC2 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ LRRK2 Q5S007 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ MET P08581 1/20 0.46

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
SCHEMBL18997912 0.92 MEN1 (0.56) MEN1KMT2ASGMS2KCNK3KCNK9
SCHEMBL19049633 0.86 SMN1; SMN2 (0.61) MEN1KMT2ASGMS2KCNK3KCNK9
SCHEMBL21776427 0.86 MEN1 (0.57) MEN1KMT2ASGMS2KCNK3KCNK9
SCHEMBL21740962 0.84 MEN1 (0.57) MEN1KMT2ASGMS2KCNK3KCNK9
SCHEMBL16941524 0.81 MEN1 (0.69) MEN1KMT2AKCNK3KCNK9NPSR1
SCHEMBL26162537 0.81 MEN1 (0.56) MEN1KMT2ASGMS2KCNK3KCNK9
SCHEMBL15614717 0.76 RXFP1 (0.74) RXFP1
SCHEMBL19002715 0.76 MEN1 (0.56) MEN1KMT2ASGMS2KCNK3KCNK9
SCHEMBL18997919 0.72 SPHK1 (0.56) MEN1KMT2ASGMS2AURKAAURKB
SCHEMBL13812767 0.72 KCNK3 (0.54) MEN1KMT2AKCNK3KCNK9LMNA

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 — — US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 — — 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 (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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 MEN1 3536/4885KMT2A 3181/4885SGMS2 600/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 MEN1 4080/4885KMT2A 3544/4885SGMS2 586/4885

“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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