SCHEMBL12929577

SCHEMBL12929577

O=C(C1CN(CS(=O)(=O)c2ccc3ccccc3c2)C1)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.49
▸ HTT P42858 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ AKR1C3 P42330 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MLNR O43193 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ EIF2AK3 Q9NZJ5 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
SCHEMBL12929578 0.85 MC4R (0.47) PKMHTTALDH1A1KMT2AAKR1C3
SCHEMBL19308226 0.83 PKM (0.52) PKMHTTALDH1A1KMT2AAKR1C3
SCHEMBL12929587 0.75 PKM (0.54) PKMHTTALDH1A1KMT2AAKR1C3
SCHEMBL6177993 0.74 LMNA (0.67) PKMALDH1A1KMT2AAKR1C3LMNA
SCHEMBL12929538 0.71 ALDH1A1 (0.58) PKMHTTALDH1A1KMT2ALMNA
SCHEMBL12929490 0.70 ALDH1A1 (0.57) PKMHTTALDH1A1KMT2ALMNA
SCHEMBL12929512 0.68 KMT2A (0.39) ALDH1A1KMT2ALMNATSHRMEN1
SCHEMBL12929565 0.68 CHRNB2 (0.43) HTTALDH1A1LMNARAB9AF10
SCHEMBL12929584 0.67 F2 (0.52) PKMHTTALDH1A1KMT2AAKR1C3
SCHEMBL19308228 0.67 MC4R (0.47) PKMHTTALDH1A1KMT2AAKR1C3

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-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS UNIVERSITE DE SHERBROOKE (CA) 2017-11-02 — — US disclosed
US-9365853-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. 2016-06-14 — — US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 — — US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 — — US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 — — 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 (3 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-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD PKM 1805/4885HTT 779/4885ALDH1A1 1899/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD PKM 1805/4885HTT 779/4885ALDH1A1 1899/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 PKM 2844/4885HTT 3783/4885ALDH1A1 3895/4885

“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.

Send feedback