Sugi Predict

Sugi Predict / Compounds / SCHEMBL770922

SCHEMBL770922

SCHEMBL770922

O=C(CCCS(=O)(=O)N1CCC2CCCC=C2C1)N1CCC[C@@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30
▸ NAMPT P43490 2/20 0.30

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
SCHEMBL770512 0.89 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL771013 0.89 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL772378 0.89 ATM (0.37) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL770956 0.89 ATM (0.37) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL771023 0.89 ATM (0.37) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL770723 0.86 SMN1; SMN2 (0.33) MAPTSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL770375 0.84 PDCD1 (0.34) PDCD1CD274
SCHEMBL771015 0.84 KMT2A (0.36) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL771175 0.84 NPC1 (0.45) CHRM2CHRM4CHRM1CHRM3KMT2A
SCHEMBL770773 0.84 POLB (0.32) MAPTPOLBSMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 — — US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 — — US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 — — US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 — — 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CHRM2 4196/4885CHRM4 4532/4885CHRM1 3030/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CHRM2 4205/4885CHRM4 4539/4885CHRM1 3021/4885

“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.