SCHEMBL4276985

SCHEMBL4276985

NC(=S)Cc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
AKR1B1 P15121 1/20 0.54
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.53
ADRA2A P08913 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
MAOA P21397 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL9272253 0.79 AKR1B1 (0.61) PKMAKR1B1KMT2ALMNAADRA2A
SCHEMBL3395963 0.78 PKM (0.74) PKMLMNATAAR1SMN1; SMN2HTT
SCHEMBL1021475 0.77 AKR1B1 (0.54) PKMAKR1B1KMT2ALMNAADRA2A
SCHEMBL1395814 0.77 AKR1B1 (0.65) PKMAKR1B1KMT2ALMNAADRA2A
Hydrochloric Acid SCHEMBL1182809 0.76 ADRA2A (0.55) PKMAKR1B1KMT2ALMNAADRA2A
SCHEMBL3714040 0.76 PKM (1.00) PKMKMT2ALMNAMEN1TAAR1
Hydrochloric Acid SCHEMBL5297667 0.76 ADRA2A (0.65) AKR1B1KMT2ALMNAADRA2ACYP3A4
SCHEMBL837828 0.74 ADRA2A (0.55) PKMAKR1B1KMT2ALMNAADRA2A
SCHEMBL11822889 0.74 KMT2A (0.53) AKR1B1KMT2ALMNAADRA2ACYP3A4
SCHEMBL20541209 0.73 BACE1 (0.44) PKMKMT2AMAPTTAAR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160285-B Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-11-29 CN claimed
CN-115160285-A Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-10-11 CN claimed
CN-115160285-B Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-11-29 CN disclosed
CN-115160285-A Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-10-11 CN disclosed
US-20090326021-A1 THIAZOLO NAPHTHYL ACIDS WYETH (US) 2009-12-31 US disclosed
US-7605172-B2 Thiazolo-naphthyl acids WYETH (US) 2009-10-20 US disclosed
US-7265138-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-09-04 US disclosed
EP-1818333-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1794138-A2 THIAZOLO-NAPHTHYL ACIDS AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Wyeth (US) 2007-06-13 EP disclosed
US-20060052420-A1 Plasminogen activator inhibitor-1 (PAI-1) modulators; 3-phenyl-2-{[6-(2-phenyl-1,3-thiazol-4-yl)-2-naphthyl]oxy}propanoic acid; thrombosis; cardiovascular disease WYETH (US) 2006-03-09 US disclosed
WO-2006023866-A2 THIAZOLO-NAPHTHYL ACIDS AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 WYETH (US) 2006-03-02 WO disclosed
EP-1603905-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-12-14 EP disclosed
WO-2004072068-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-08-26 WO disclosed
US-20040157845-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-12 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-20090326021-A1 THIAZOLO NAPHTHYL ACIDS SERPINE1, SERPINC1, SERPINB1 PKM 3107/4885AKR1B1 219/4885KMT2A 4373/4885
US-20060052420-A1 Plasminogen activator inhibitor-1 (PAI-1) modulators; 3-phenyl-2-{[6-(2-phenyl-1,3-thiazol-4-yl)-2-naphthyl]oxy}propanoic acid; thrombosis; cardiovascular disease SERPINE1, PLAT, SERPINC1 PKM 1467/4885AKR1B1 588/4885KMT2A 4679/4885
US-20040157845-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PKM 3270/4885AKR1B1 1864/4885KMT2A 3812/4885

“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.