SCHEMBL2697889

SCHEMBL2697889

[CH2]CC(=O)NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KCNH2 Q12809 1/20 0.50
CD274 Q9NZQ7 1/20 0.50

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
SCHEMBL23929061 0.84 SMN1; SMN2 (0.82) SMN1; SMN2POLBKMT2ATDP1CA12
SCHEMBL3464761 0.84 SMN1; SMN2 (0.59) SMN1; SMN2POLBKMT2ATDP1CA12
SCHEMBL3464764 0.84 SMN1; SMN2 (0.59) SMN1; SMN2POLBKMT2ATDP1CA12
SCHEMBL5176558 0.84 SMN1; SMN2 (0.59) SMN1; SMN2POLBKMT2ATDP1CA12
SCHEMBL7540534 0.83 CA12 (0.55) SMN1; SMN2POLBKMT2ACA12CA1
SCHEMBL9123584 0.82 LMNA (0.52) SMN1; SMN2POLBKMT2ATDP1HSD17B10
Hydrochloric Acid SCHEMBL5047728 0.82 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ATDP1CA12
SCHEMBL18628077 0.82 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ATDP1CA12
SCHEMBL24391511 0.82 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ATDP1CA12
SCHEMBL992153 0.82 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ATDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 US claimed
EP-2635124-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS Romark Laboratories, L.C. (US) 2013-09-11 EP claimed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 WO claimed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO claimed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 US claimed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 US claimed
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 US disclosed
EP-2635124-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS Romark Laboratories, L.C. (US) 2013-09-11 EP disclosed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 WO disclosed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 US disclosed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 US disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 SMN1; SMN2 3414/4885POLB 876/4885KMT2A 3654/4885
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, HCCS SMN1; SMN2 3690/4885POLB 2975/4885KMT2A 4262/4885

“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.