SCHEMBL13840444

SCHEMBL13840444

CCS(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc3oc(C(=O)NC(C)C)c(OC)c3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ JAK1 P23458 2/20 0.40
▸ TP53 P04637 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.37

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
SCHEMBL13840440 0.93 KMT2A (0.43) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL13840446 0.90 MEN1 (0.44) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL13840452 0.83 MEN1 (0.47) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL10114279 0.69 SMN1; SMN2 (0.57) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL13840445 0.68 GNRHR (0.45) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL13840441 0.67 HSD17B10 (0.50) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL13840442 0.67 MAPT (0.62) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL13840439 0.67 KDM4E (0.59) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL10114872 0.66 POLB (0.48) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14424365 0.66 POLB (0.48) KMT2AALDH1A1MAPTLMNASMN1; SMN2

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-7534892-B2 Sulfonamide compound SHIONOGI & CO., LTD. (JP) 2009-05-19 — — US disclosed
US-20070287710-A1 Piperidinediyl-containing sulfonamide; NPY Y5 receptor antagonist activity; antiobesity agent or anorectic agent SHIONOGI & CO., LTD. (JP) 2007-12-13 — — 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-20070287710-A1 Piperidinediyl-containing sulfonamide; NPY Y5 receptor antagonist activity; antiobesity agent or anorectic agent NPY5R, NPY1R, NPY2R KMT2A 1321/4885MEN1 2970/4885KDM4E 704/4885

“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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