SCHEMBL4539692

SCHEMBL4539692

CCCN(C(=O)O)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
FFAR2 O15552 1/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL18764698 0.86 ALDH1A1 (0.41) TRPM8SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL4994205 0.84 GAA (0.40) TRPM8ALDH1A1TSHRGAAFFAR2
SCHEMBL4536011 0.83 GAA (0.39) TRPM8ALDH1A1TSHRGAAFFAR2
SCHEMBL17397408 0.82 TRPM8 (0.38) TRPM8ALDH1A1TSHRGAAFFAR2
SCHEMBL2444472 0.78 MLYCD (0.46) TRPM8SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL27888861 0.76 ARG1 (0.43) TRPM8ALDH1A1TSHRGAAFFAR2
SCHEMBL3509524 0.76 MLYCD (0.37) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27888865 0.76 ARG1 (0.43) TRPM8ALDH1A1TSHRGAAFFAR2
SCHEMBL4994295 0.76 TRPM8 (0.40) TRPM8ALDH1A1TSHRGAAFFAR2
SCHEMBL1915288 0.76 ALDH1A1 (0.44) TRPM8SMN1; SMN2ALDH1A1TSHRGAA

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
WO-2012061972-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2012-05-18 WO disclosed
EP-1675836-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-07-05 EP disclosed
WO-2005035510-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-04-21 WO disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 TRPM8 719/4885SMN1; SMN2 687/4885ALDH1A1 1758/4885

“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.